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Ligand source activities (1 row/activity)
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
CHEMBL1090796 | 8023 | None | 0 | Human | Binding | IC50 | = | 13.10 | 7.88 | - | 4 | Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting | ChEMBL | 482.2 | 10 | 4 | 5 | 3.93 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.02.098 | |
CHEMBL1090829 | 8033 | None | 0 | Human | Binding | IC50 | = | 6.50 | 8.19 | - | 3 | Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting | ChEMBL | 561.2 | 10 | 4 | 5 | 5.67 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | https://dx.doi.org/10.1016/j.bmcl.2010.02.098 | |
CHEMBL1093429 | 8413 | None | 0 | Human | Binding | IC50 | = | 3.40 | 8.47 | - | 4 | Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting | ChEMBL | 538.1 | 10 | 4 | 5 | 4.76 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 | https://dx.doi.org/10.1016/j.bmcl.2010.02.098 | |
CHEMBL1093823 | 8466 | None | 0 | Human | Binding | IC50 | = | 4.40 | 8.36 | - | 4 | Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting | ChEMBL | 547.1 | 9 | 4 | 5 | 5.63 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | https://dx.doi.org/10.1016/j.bmcl.2010.02.098 | |
CHEMBL1095833 | 8719 | None | 24 | Human | Binding | IC50 | = | 1956.00 | 5.71 | - | 4 | Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting | ChEMBL | 460.1 | 8 | 2 | 6 | 4.27 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | https://dx.doi.org/10.1021/jm100181s | |
CHEMBL112655 | 9627 | None | 0 | Human | Binding | IC50 | = | 140.00 | 6.85 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.39 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL113344 | 9736 | None | 0 | Human | Binding | IC50 | = | 23.00 | 7.64 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL114584 | 9939 | None | 2 | Human | Binding | IC50 | = | 210.00 | 6.68 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 385.2 | 14 | 4 | 3 | 3.78 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL114976 | 10016 | None | 0 | Human | Binding | IC50 | = | 500.00 | 6.30 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115554 | 10108 | None | 0 | Human | Binding | IC50 | = | 16.00 | 7.80 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115713 | 10138 | None | 2 | Human | Binding | IC50 | = | 16.00 | 7.80 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL115713 | 10138 | None | 2 | Human | Binding | IC50 | = | 280.00 | 6.55 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115714 | 10139 | None | 0 | Human | Binding | IC50 | = | 880.00 | 6.06 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115738 | 10144 | None | 0 | Human | Binding | IC50 | = | 800.00 | 6.10 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 363.3 | 19 | 3 | 2 | 5.63 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL1160958 | 10248 | None | 0 | Human | Binding | IC50 | = | 900.00 | 6.05 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 339.2 | 14 | 3 | 3 | 4.76 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL116140 | 10273 | None | 0 | Human | Binding | IC50 | = | 1400.00 | 5.85 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 335.2 | 14 | 3 | 3 | 3.90 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL1161691 | 10294 | None | 0 | Human | Binding | IC50 | = | 15.00 | 7.82 | - | 5 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes | ChEMBL | 389.2 | 14 | 5 | 6 | 2.62 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.07.049 | |
CHEMBL117031 | 10646 | None | 0 | Human | Binding | IC50 | = | 94.00 | 7.03 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 355.2 | 14 | 3 | 2 | 4.63 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL117130 | 10754 | None | 0 | Human | Binding | IC50 | = | 15.00 | 7.82 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 373.2 | 13 | 4 | 4 | 3.28 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL117723 | 11057 | None | 0 | Human | Binding | IC50 | = | 80.00 | 7.10 | - | 6 | Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells | ChEMBL | 465.1 | 15 | 3 | 4 | 4.85 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | https://dx.doi.org/10.1021/jm0492507 |
Showing 1 to 20 of 220 entries
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | EC50 | = | 0.60 | 9.22 | -26 | 6 | Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1021/jm050242f | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | EC50 | = | 1.60 | 8.80 | -26 | 6 | Agonist activity at human recombinant S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1021/acs.jmedchem.8b01695 | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | EC50 | = | 22.00 | 7.66 | -26 | 6 | Agonist activity at recombinant human S1P4 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1021/acsmedchemlett.0c00631 | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | IC50 | = | 2.20 | 8.66 | -26 | 6 | Agonist activity at human S1P4 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2011.10.088 | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | EC50 | = | 199.53 | 6.70 | -26 | 6 | Agonist activity at human S1P4 expressed in CHO-K1 aequorin cells assessed as calcium accumulation of by luminescence assay in presence of cofactor coelenterazine | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1021/jm200609t | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | EC50 | = | 22.16 | 7.65 | -26 | 6 | Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.02.006 | |
9,10-PHENANTHRENEQUINONE | 191556 | None | 60 | Human | Functional | IC50 | = | 2029.00 | 5.69 | 1 | 3 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation in triplicates.), 1510 (Primary screen.)] | ChEMBL | 208.1 | 0 | 0 | 2 | 2.73 | O=C1C(=O)c2ccccc2-c2ccccc21 | - | |
AFD(R) | 303 | None | 0 | Human | Functional | EC50 | = | 1.26 | 8.90 | -1 | 4 | Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay | ChEMBL | 373.2 | 13 | 3 | 4 | 3.79 | CCCCCCCOc1ccc(CC[C@@](C)(N)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2005.09.038 | |
AFD(R) | 303 | None | 0 | Human | Functional | pEC50 | = | - | 8.35 | -1 | 4 | Unclassified | Guide to Pharmacology | 373.2 | 13 | 3 | 4 | 3.79 | CCCCCCCOc1ccc(CC[C@@](C)(N)COP(=O)(O)O)cc1 | https://pubmed.ncbi.nlm.nih.gov/11967257 | |
AFD(R) | 303 | None | 0 | Human | Functional | pEC50 | = | - | 8.35 | -1 | 4 | Unclassified | Guide to Pharmacology | 373.2 | 13 | 3 | 4 | 3.79 | CCCCCCCOc1ccc(CC[C@@](C)(N)COP(=O)(O)O)cc1 | https://pubmed.ncbi.nlm.nih.gov/14732717 | |
ASP4058 | 502 | None | 23 | Human | Functional | pEC50 | = | - | 5.64 | -301 | 4 | In a GTPγS binding assay. | Guide to Pharmacology | 442.1 | 4 | 1 | 5 | 5.63 | C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F)C(F)(F)F | https://pubmed.ncbi.nlm.nih.gov/25347187 | |
AUY954 | 524 | None | 19 | Mouse | Functional | pEC50 | None | - | 5.50 | -3548 | 7 | Unclassified | Guide to Pharmacology | 455.1 | 7 | 2 | 3 | 6.82 | O=C(O)CCNCc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2c1 | https://pubmed.ncbi.nlm.nih.gov/17114004 | |
CHEMBL1077288 | 5603 | None | 0 | Human | Functional | EC50 | = | 800.00 | 6.10 | -3 | 3 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 335.2 | 13 | 2 | 3 | 4.55 | CCCCCCCOc1ccc(CC[C@](C)(N)CCC(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1083841 | 6768 | None | 0 | Human | Functional | EC50 | = | 1700.00 | 5.77 | -3 | 4 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 425.2 | 13 | 2 | 5 | 2.75 | CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1084929 | 7060 | None | 0 | Human | Functional | EC50 | = | 5.70 | 8.24 | -6 | 4 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 373.2 | 13 | 3 | 4 | 3.79 | CCCCCCCOc1ccc(CC[C@](C)(N)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1085191 | 7107 | None | 0 | Human | Functional | EC50 | = | 670.00 | 6.17 | 1 | 4 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 359.3 | 13 | 2 | 5 | 3.83 | CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1086170 | 7332 | None | 0 | Human | Functional | EC50 | = | 19.00 | 7.72 | 1 | 4 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 371.2 | 13 | 3 | 3 | 4.25 | CCCCCCCOc1ccc(CC[C@](C)(N)CCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1086171 | 7333 | None | 0 | Human | Functional | EC50 | = | 140.00 | 6.85 | -3 | 3 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 307.2 | 11 | 2 | 3 | 3.77 | CCCCCCCOc1ccc(CC[C@](C)(N)C(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1086172 | 7334 | None | 0 | Human | Functional | EC50 | = | 120.00 | 6.92 | -6 | 4 | Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding | ChEMBL | 321.2 | 12 | 2 | 3 | 4.16 | CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.01.118 | |
CHEMBL1091103 | 8061 | None | 0 | Human | Functional | EC50 | = | 41.45 | 7.38 | -9 | 4 | Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay | ChEMBL | 413.2 | 12 | 4 | 4 | 3.49 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | https://dx.doi.org/10.1016/j.bmcl.2010.02.006 |
Showing 1 to 20 of 417 entries