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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 | |
| CCL20-SEAP(His)6 | 842 | None | 0 | Human | Binding | pKd | None | - | 9.00 | - | 1 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/9169459 | |
| CHEMBL4242040 | 165657 | None | 0 | Rhesus macaque | Binding | IC50 | = | 21.00 | 7.68 | - | 2 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 485.1 | 5 | 1 | 5 | 5.84 | N#Cc1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
| CHEMBL4245036 | 165776 | None | 0 | Rhesus macaque | Binding | IC50 | = | 280.00 | 6.55 | - | 2 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 418.1 | 5 | 1 | 5 | 3.88 | N#Cc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
| CHEMBL4245355 | 165789 | None | 0 | Rhesus macaque | Binding | IC50 | = | 9.50 | 8.02 | - | 3 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 504.1 | 6 | 2 | 6 | 4.46 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cn1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
| CHEMBL4245957 | 165813 | None | 4 | Rhesus macaque | Binding | IC50 | = | 1300.00 | 5.89 | - | 2 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 356.1 | 4 | 1 | 5 | 2.53 | Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
| CHEMBL4248604 | 165922 | None | 19 | Rhesus macaque | Binding | IC50 | = | 0.45 | 9.35 | - | 3 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 504.1 | 6 | 2 | 6 | 4.46 | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
| CHEMBL4250007 | 165997 | None | 0 | Rhesus macaque | Binding | IC50 | = | 16.00 | 7.80 | - | 2 | Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay | ChEMBL | 503.1 | 6 | 2 | 5 | 5.06 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2018.07.042 | |
Showing 1 to 7 of 7 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 | |
| ALEXIDINE | 13750 | None | 31 | Human | Functional | IC50 | = | 25900.00 | 4.59 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 508.5 | 19 | 10 | 4 | 4.26 | CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC | - | |
| CCL20 | 839 | None | 0 | Human | Functional | pIC50 | = | - | 8.20 | - | 2 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/9169459 | |
| CCL20 | 839 | None | 0 | Human | Functional | pIC50 | = | - | 8.20 | - | 2 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/9294137 | |
| CCL20 | 839 | None | 0 | Human | Functional | pIC50 | = | - | 8.20 | - | 2 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/12081481 | |
| CHEMBL114544 | 9937 | None | 11 | Human | Functional | IC50 | = | 16900.00 | 4.77 | -4 | 2 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 214.1 | 2 | 1 | 2 | 2.87 | S=C(Nc1ccccc1)c1ccccn1 | - | |
| CHEMBL1182530 | 11909 | None | 0 | Human | Functional | IC50 | = | 48800.00 | 4.31 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 356.1 | 5 | 1 | 3 | 5.33 | C(=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)\c1ccccc1 | - | |
| CHEMBL1300729 | 19684 | None | 5 | Human | Functional | IC50 | = | 22000.00 | 4.66 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 335.0 | 4 | 1 | 6 | 3.71 | COc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1 | - | |
| CHEMBL1303373 | 20017 | None | 2 | Human | Functional | IC50 | = | 35300.00 | 4.45 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 341.1 | 5 | 1 | 4 | 3.47 | N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1 | - | |
| CHEMBL1303508 | 20037 | None | 0 | Human | Functional | IC50 | = | 49400.00 | 4.31 | -3 | 2 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 336.0 | 2 | 2 | 3 | 4.32 | O=C1NC(=S)S/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 | - | |
| CHEMBL1306900 | 20444 | None | 3 | Human | Functional | IC50 | = | 22700.00 | 4.64 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 461.1 | 10 | 0 | 7 | 3.45 | COc1cccc2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc12 | - | |
| CHEMBL1309871 | 20819 | None | 2 | Human | Functional | IC50 | = | 25500.00 | 4.59 | -1 | 3 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 382.1 | 4 | 2 | 4 | 3.61 | O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 | - | |
| CHEMBL1309871 | 20819 | None | 2 | Human | Functional | IC50 | = | 9410.00 | 5.03 | -1 | 3 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159, AID540340] | ChEMBL | 382.1 | 4 | 2 | 4 | 3.61 | O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 | - | |
| CHEMBL1309890 | 20821 | None | 5 | Human | Functional | IC50 | = | 19400.00 | 4.71 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 351.1 | 4 | 2 | 5 | 3.38 | CC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O | - | |
| CHEMBL1310449 | 20877 | None | 6 | Human | Functional | IC50 | = | 23600.00 | 4.63 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 317.1 | 3 | 1 | 5 | 3.44 | Cc1ccc(Cc2cnc(N3C(=N)SC(C)C3=O)s2)cc1 | - | |
| CHEMBL1310804 | 20927 | None | 8 | Human | Functional | IC50 | = | 29600.00 | 4.53 | -8 | 3 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 436.0 | 5 | 1 | 4 | 6.31 | O=C(Nc1ccccc1Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] | - | |
| CHEMBL1312308 | 21123 | None | 10 | Human | Functional | IC50 | = | 15500.00 | 4.81 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 477.1 | 4 | 0 | 8 | 4.69 | CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C | - | |
| CHEMBL1312969 | 21212 | None | 5 | Human | Functional | IC50 | = | 25000.00 | 4.60 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 379.2 | 5 | 2 | 5 | 4.02 | Cc1ccc(C(NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 | - | |
| CHEMBL1318103 | 21669 | None | 3 | Human | Functional | IC50 | = | 23800.00 | 4.62 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 236.1 | 0 | 1 | 2 | 3.86 | FC(F)(F)C1=Nc2cccc3cccc(c23)N1 | - | |
| CHEMBL1318358 | 21685 | None | 2 | Human | Functional | IC50 | = | 26900.00 | 4.57 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 571.0 | 6 | 2 | 7 | 3.15 | O=C(CN1C(=O)/C(=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 | - | |
| CHEMBL1318526 | 21708 | None | 40 | Human | Functional | IC50 | = | 21600.00 | 4.67 | - | 1 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493098, AID493121, AID493159] | ChEMBL | 219.0 | 2 | 1 | 5 | 3.57 | Cc1ccc(O)c(N=Nc2nccs2)c1 | - | |
Showing 1 to 20 of 273 entries