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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 | |
[Ala1,3,11,15]ET-1 | 334 | None | 0 | Human | Binding | pKd | = | - | 8.95 | - | 1 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/1472961 | |
A192621 | 194 | None | 25 | Human | Binding | pKd | = | - | 8.10 | 676 | 2 | Unclassified | Guide to Pharmacology | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://pubmed.ncbi.nlm.nih.gov/10479298 | |
A192621 | 194 | None | 25 | Human | Binding | IC50 | = | 4.50 | 8.35 | 676 | 2 | Affinity Biochemical interaction (Inhibition of 125I labeled ET-3 binding) EUB0000350a EDNRB | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL5210307 | |
A192621 | 194 | None | 25 | Human | Binding | IC50 | = | 0.80 | 9.10 | 676 | 2 | Affinity On-target Cellular interaction (EDNRB-dependent phosphatidylinositol hydrolysis assay (CHO cells transfected with human EDNRBA)) EUB0000350a EDNRB | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL5210121 | |
A192621 | 194 | None | 25 | Human | Binding | Ki | = | 8.80 | 8.06 | 676 | 2 | 125I-labelled ET-1 saturation binding studies with EDNRB | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
A192621 | 194 | None | 25 | Human | Binding | IC50 | = | 4.50 | 8.35 | 676 | 2 | Inhibition of 125I labeled ET-3 binding to EDNRB | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
A192621 | 194 | None | 25 | Human | Binding | IC50 | = | 6.40 | 8.19 | 676 | 2 | Binding affinity towards human Endothelin B receptor (hET -B) | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.1021/jm990170q | |
A192621 | 194 | None | 25 | Human | Binding | IC50 | = | 12.00 | 7.92 | 676 | 2 | Binding affinity towards human Endothelin B receptor (hET -B) | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.1021/jm990170q | |
ABT-546 | 9413 | None | 19 | Human | Binding | IC50 | = | 13000.00 | 4.89 | -28183 | 4 | Inhibitory activity against human endothelin B receptor | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.1021/jm010237l | |
ABT-546 | 9413 | None | 19 | Human | Binding | Ki | = | 13000.00 | 4.89 | -28183 | 4 | Selectivity interaction (CEREP panel (Eurofins, receptors, ion channels, and other enzymes)) EUB0000348aPTSA EDNRB | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.6019/CHEMBL5212743 | |
ABT-546 | 9413 | None | 19 | Human | Binding | IC50 | = | 15400.00 | 4.81 | -28183 | 4 | Inhibition of [125I]-endothelin-3 binding to EDNRB | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.6019/CHEMBL4507258 | |
ABT-546 | 9413 | None | 19 | Human | Binding | Ki | = | 13000.00 | 4.89 | -28183 | 4 | Tested for binding affinity for human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from chinese hamster ovary cells(CHO) | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.1021/jm980217s | |
ABT-546 | 9413 | None | 19 | Human | Binding | IC50 | = | 15400.00 | 4.81 | -28183 | 4 | Tested for binding affinity for human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from chinese hamster ovary cells(CHO) | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.1021/jm980217s | |
ABT-546 | 9413 | None | 19 | Human | Binding | IC50 | = | 16700.00 | 4.78 | -28183 | 4 | Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissue | ChEMBL | 532.4 | 15 | 1 | 6 | 5.54 | CCCCN(CCCC)C(=O)CN1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CC(C)(C)CCC | https://dx.doi.org/10.1021/jm980217s | |
ambrisentan | 391 | None | 55 | Human | Binding | IC50 | = | 195.00 | 6.71 | 1 | 2 | Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | ChEMBL | 378.2 | 7 | 1 | 5 | 3.52 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O | https://dx.doi.org/10.1016/j.bmcl.2016.06.014 | |
ambrisentan | 391 | None | 55 | Human | Binding | pKi | = | 6.98 | 8.16 | 1 | 2 | None | Drug Central | 378.2 | 7 | 1 | 5 | 3.52 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O | - | |
aprocitentan | 449 | None | 43 | Human | Binding | IC50 | = | 987.00 | 6.01 | - | 2 | Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | ChEMBL | 543.9 | 8 | 2 | 8 | 2.53 | NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 | https://dx.doi.org/10.1016/j.bmcl.2016.06.014 | |
aprocitentan | 449 | None | 43 | Human | Binding | IC50 | = | 987.00 | 6.01 | - | 2 | Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis | ChEMBL | 543.9 | 8 | 2 | 8 | 2.53 | NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 | https://dx.doi.org/10.1021/jm3009103 | |
atrasentan | 522 | None | 36 | Human | Binding | pKi | = | - | 6.86 | -4073 | 4 | CHO cells expressing human ETB receptor. | Guide to Pharmacology | 510.3 | 12 | 1 | 6 | 4.69 | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 | https://pubmed.ncbi.nlm.nih.gov/8676339 | |
atrasentan | 522 | None | 36 | Human | Binding | IC50 | = | 88.00 | 7.06 | -4073 | 4 | Inhibitory activity against human endothelin B receptor | ChEMBL | 510.3 | 12 | 1 | 6 | 4.69 | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 | https://dx.doi.org/10.1021/jm010237l |
Showing 1 to 20 of 1,802 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 | |
A-1806262 | 216452 | None | 1 | Human | Functional | IC50 | = | 1000.00 | 6.00 | 1 | 2 | Eurofins cellular functional assay - Antagonist (EDNRB) | ChEMBL | - | - | - | - | - | CCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
A-1806262 | 216452 | None | 1 | Human | Functional | IC50 | = | 1000.00 | 6.00 | 1 | 2 | Eurofins cellular functional assay - Antagonist (EDNRB) | ChEMBL | - | - | - | - | - | CCCOc1ccc([C@@H]2[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
A192621 | 194 | None | 25 | Human | Functional | IC50 | = | 6.50 | 8.19 | 1479 | 2 | Eurofins cellular functional assay - Antagonist (EDNRB) | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
A192621 | 194 | None | 25 | Human | Functional | IC50 | = | 0.80 | 9.10 | 1479 | 2 | EDNRB- dependent phosphatidylinositol hydrolysis assay | ChEMBL | 558.3 | 11 | 2 | 6 | 5.81 | CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(CC)cccc2CC)cc1 | https://dx.doi.org/10.6019/CHEMBL4507261 | |
ambrisentan | 391 | None | 55 | Human | Functional | pIC50 | = | - | 5.92 | -47 | 2 | Unclassified | Guide to Pharmacology | 378.2 | 7 | 1 | 5 | 3.52 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O | https://pubmed.ncbi.nlm.nih.gov/15139756 | |
ambrisentan | 391 | None | 55 | Human | Functional | IC50 | = | 1190.00 | 5.92 | -47 | 2 | Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radioligand | ChEMBL | 378.2 | 7 | 1 | 5 | 3.52 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O | https://dx.doi.org/10.1021/jm031115r | |
aprocitentan | 449 | None | 43 | Human | Functional | pIC50 | = | - | 6.01 | -109 | 2 | Unclassified | Guide to Pharmacology | 543.9 | 8 | 2 | 8 | 2.53 | NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 | https://pubmed.ncbi.nlm.nih.gov/18780830 | |
aprocitentan | 449 | None | 43 | Human | Functional | pA2 | = | - | 5.50 | -109 | 2 | Unclassified | Guide to Pharmacology | 543.9 | 8 | 2 | 8 | 2.53 | NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 | https://pubmed.ncbi.nlm.nih.gov/18780830 | |
BMS-193884 | 670 | None | 14 | Human | Functional | Ki | = | 18700.00 | 4.73 | - | 4 | Inhibitory concentration against endotheline ETB receptor | ChEMBL | 395.1 | 5 | 1 | 6 | 4.41 | Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2)c1C | https://dx.doi.org/10.1021/jm030480f | |
bosentan | 706 | None | 60 | Rat | Functional | pA2 | = | - | 6.00 | -11 | 5 | Unclassified | Guide to Pharmacology | 551.2 | 10 | 2 | 10 | 4.20 | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO | https://pubmed.ncbi.nlm.nih.gov/8035319 | |
bosentan | 706 | None | 60 | Rat | Functional | pIC50 | = | 7.02 | 8.15 | -11 | 5 | None | Drug Central | 551.2 | 10 | 2 | 10 | 4.20 | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO | - | |
bosentan | 706 | None | 60 | Rat | Functional | Kd | = | 1584.89 | 5.80 | -11 | 5 | Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptors) | ChEMBL | 551.2 | 10 | 2 | 10 | 4.20 | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO | https://dx.doi.org/10.1016/S0960-894X(97)00400-9 | |
BQ 788 | 60266 | None | 31 | Human | Functional | IC50 | = | 0.41 | 9.39 | - | 1 | Antagonist activity at ETB receptor in human BSMC assessed as inhibition of endothelin-1 or 3-mediated Ca2+ mobilization preincubated for 5 mins followed by endothelin-1 or 3 addition by fura-2/AM dye-based spectrofluorimetric method | ChEMBL | 641.4 | 12 | 4 | 7 | 4.82 | CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)O | https://dx.doi.org/10.1016/j.ejmech.2016.06.006 | |
CHEMBL10374 | 4743 | None | 0 | Human | Functional | IC50 | = | 390.00 | 6.41 | -7 | 3 | Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed). | ChEMBL | 430.1 | 5 | 1 | 6 | 4.13 | COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(C)cc2)cc1 | https://dx.doi.org/10.1021/jm00008a002 | |
CHEMBL10374 | 4743 | None | 0 | Rat | Functional | IC50 | = | 4500.00 | 5.35 | -87 | 3 | Tested for antagonistic activity against Endothelin B receptor in the rat cerebellum. | ChEMBL | 430.1 | 5 | 1 | 6 | 4.13 | COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(C)cc2)cc1 | https://dx.doi.org/10.1021/jm00008a002 | |
CHEMBL10588 | 5159 | None | 0 | Human | Functional | IC50 | = | 1750.00 | 5.76 | -144 | 2 | Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed). | ChEMBL | 430.1 | 5 | 1 | 6 | 4.13 | COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1C | https://dx.doi.org/10.1021/jm00008a002 | |
CHEMBL10733 | 5432 | None | 0 | Rat | Functional | IC50 | = | 720.00 | 6.14 | -5 | 2 | Tested for antagonistic activity against Endothelin B receptor in the rat cerebellum. | ChEMBL | 450.1 | 5 | 1 | 6 | 4.48 | COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(Cl)cc2)cc1 | https://dx.doi.org/10.1021/jm00008a002 | |
CHEMBL10924 | 8256 | None | 0 | Human | Functional | IC50 | = | 1140.00 | 5.94 | -301 | 2 | Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed). | ChEMBL | 460.2 | 6 | 1 | 7 | 4.14 | COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OC)c(C)c2)cc1 | https://dx.doi.org/10.1021/jm00008a002 | |
CHEMBL109644 | 8766 | None | 0 | Human | Functional | IC50 | = | 1.12 | 8.95 | -7 | 4 | Ability to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells. | ChEMBL | 592.3 | 15 | 1 | 7 | 5.03 | CCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1 | https://dx.doi.org/10.1021/jm970101g | |
CHEMBL11115 | 9334 | None | 0 | Human | Functional | IC50 | = | 1550.00 | 5.81 | -380 | 3 | Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed). | ChEMBL | 446.1 | 6 | 1 | 7 | 3.83 | COc1ccc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OC)cc2)cc1 | https://dx.doi.org/10.1021/jm00008a002 |
Showing 1 to 20 of 186 entries