Compile Data Set for Download or QSAR
Found 49 Enz. Inhib. hit(s) with all data for entry = 50034893
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290050(CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C29H31N7O8S/c1-20-10-11-24(31-19-20)45(38,39)35-26-25(44-22-8-4-3-7-21(22)40-2)27(34-28(33-26)36-13-15-41-16-14-36)42-17-18-43-29(37)32-23-9-5-6-12-30-23/h3-12,19H,13-18H2,1-2H3,(H,30,32,37)(H,33,34,35)
Affinity DataIC50: 0.200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290043(CHEMBL72037 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C31H35N7O8S/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(46-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-16-43-17-15-38)44-18-19-45-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Affinity DataIC50: 0.300nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290043(CHEMBL72037 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C31H35N7O8S/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(46-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-16-43-17-15-38)44-18-19-45-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Affinity DataIC50: 0.700nMAssay Description:Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290047(CHEMBL308088 | Pyridin-2-yl-carbamic acid 2-[6-(5-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCSCC1
Show InChI InChI=1S/C31H35N7O7S2/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(45-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-18-46-19-15-38)43-16-17-44-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Affinity DataIC50: 1nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290059(CHEMBL70895 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CCNCC1
Show InChI InChI=1S/C32H37N7O7S/c1-21(2)23-11-12-27(35-20-23)47(41,42)39-30-28(46-25-9-5-4-8-24(25)43-3)31(38-29(37-30)22-13-16-33-17-14-22)44-18-19-45-32(40)36-26-10-6-7-15-34-26/h4-12,15,20-22,33H,13-14,16-19H2,1-3H3,(H,34,36,40)(H,37,38,39)
Affinity DataIC50: 3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290060(CHEMBL70293 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C31H30N8O7S/c1-20(2)21-12-13-25(35-19-21)47(41,42)39-27-26(46-23-10-5-4-9-22(23)43-3)30(38-29(37-27)28-33-15-8-16-34-28)44-17-18-45-31(40)36-24-11-6-7-14-32-24/h4-16,19-20H,17-18H2,1-3H3,(H,32,36,40)(H,37,38,39)
Affinity DataIC50: 4nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290057(CHEMBL70303 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C29H26N8O7S/c1-19-11-12-23(33-18-19)45(39,40)37-25-24(44-21-9-4-3-8-20(21)41-2)28(36-27(35-25)26-31-14-7-15-32-26)42-16-17-43-29(38)34-22-10-5-6-13-30-22/h3-15,18H,16-17H2,1-2H3,(H,30,34,38)(H,35,36,37)
Affinity DataIC50: 4nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290043(CHEMBL72037 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C31H35N7O8S/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(46-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-16-43-17-15-38)44-18-19-45-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Affinity DataIC50: 5nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290041(CHEMBL70203 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C33H33N7O7S/c1-33(2,3)22-13-15-23(16-14-22)48(42,43)40-28-27(47-25-11-6-5-10-24(25)44-4)31(39-30(38-28)29-35-18-9-19-36-29)45-20-21-46-32(41)37-26-12-7-8-17-34-26/h5-19H,20-21H2,1-4H3,(H,34,37,41)(H,38,39,40)
Affinity DataIC50: 6nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290044(CHEMBL70800 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1ccccn1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)22-15-13-21(14-16-22)30(2,3)4)26(42-24-11-7-6-10-23(24)39-5)28(33-20)40-18-19-41-29(36)34-25-12-8-9-17-31-25/h6-17H,18-19H2,1-5H3,(H,31,34,36)(H,32,33,35)
Affinity DataIC50: 6nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290049(CHEMBL71070 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)C
Show InChI InChI=1S/C32H37N5O7S/c1-21(2)28-35-29(37-45(39,40)23-16-14-22(15-17-23)32(3,4)5)27(44-25-12-8-7-11-24(25)41-6)30(36-28)42-19-20-43-31(38)34-26-13-9-10-18-33-26/h7-18,21H,19-20H2,1-6H3,(H,33,34,38)(H,35,36,37)
Affinity DataIC50: 7nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290042(CHEMBL70487 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CC1
Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)22-14-16-23(17-15-22)45(39,40)37-29-27(44-25-10-6-5-9-24(25)41-4)30(36-28(35-29)21-12-13-21)42-19-20-43-31(38)34-26-11-7-8-18-33-26/h5-11,14-18,21H,12-13,19-20H2,1-4H3,(H,33,34,38)(H,35,36,37)
Affinity DataIC50: 7nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
Affinity DataIC50: 8nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290055(CHEMBL303428 | Pyridin-2-yl-carbamic acid 2-[6-(4-...)
Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)n1
Show InChI InChI=1S/C32H37N5O7S/c1-6-11-27-34-29(37-45(39,40)23-17-15-22(16-18-23)32(2,3)4)28(44-25-13-8-7-12-24(25)41-5)30(35-27)42-20-21-43-31(38)36-26-14-9-10-19-33-26/h7-10,12-19H,6,11,20-21H2,1-5H3,(H,33,36,38)(H,34,35,37)
Affinity DataIC50: 9nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290051(CHEMBL303649 | Pyridin-2-yl-carbamic acid 2-[2-ter...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)(C)C
Show InChI InChI=1S/C33H39N5O7S/c1-32(2,3)22-15-17-23(18-16-22)46(40,41)38-28-27(45-25-13-9-8-12-24(25)42-7)29(37-30(36-28)33(4,5)6)43-20-21-44-31(39)35-26-14-10-11-19-34-26/h8-19H,20-21H2,1-7H3,(H,34,35,39)(H,36,37,38)
Affinity DataIC50: 14nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290047(CHEMBL308088 | Pyridin-2-yl-carbamic acid 2-[6-(5-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCSCC1
Show InChI InChI=1S/C31H35N7O7S2/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(45-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-18-46-19-15-38)43-16-17-44-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
Affinity DataIC50: 14nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290053(CHEMBL70339 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C33H38N6O8S/c1-33(2,3)23-12-14-24(15-13-23)48(41,42)38-29-28(47-26-10-6-5-9-25(26)43-4)30(37-31(36-29)39-17-19-44-20-18-39)45-21-22-46-32(40)35-27-11-7-8-16-34-27/h5-16H,17-22H2,1-4H3,(H,34,35,40)(H,36,37,38)
Affinity DataIC50: 17nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290053(CHEMBL70339 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C33H38N6O8S/c1-33(2,3)23-12-14-24(15-13-23)48(41,42)38-29-28(47-26-10-6-5-9-25(26)43-4)30(37-31(36-29)39-17-19-44-20-18-39)45-21-22-46-32(40)35-27-11-7-8-16-34-27/h5-16H,17-22H2,1-4H3,(H,34,35,40)(H,36,37,38)
Affinity DataIC50: 19nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290050(CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C29H31N7O8S/c1-20-10-11-24(31-19-20)45(38,39)35-26-25(44-22-8-4-3-7-21(22)40-2)27(34-28(33-26)36-13-15-41-16-14-36)42-17-18-43-29(37)32-23-9-5-6-12-30-23/h3-12,19H,13-18H2,1-2H3,(H,30,32,37)(H,33,34,35)
Affinity DataIC50: 25nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290059(CHEMBL70895 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CCNCC1
Show InChI InChI=1S/C32H37N7O7S/c1-21(2)23-11-12-27(35-20-23)47(41,42)39-30-28(46-25-9-5-4-8-24(25)43-3)31(38-29(37-30)22-13-16-33-17-14-22)44-18-19-45-32(40)36-26-10-6-7-15-34-26/h4-12,15,20-22,33H,13-14,16-19H2,1-3H3,(H,34,36,40)(H,37,38,39)
Affinity DataIC50: 25nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290061(CHEMBL70365 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1cccs1
Show InChI InChI=1S/C33H33N5O7S2/c1-33(2,3)22-14-16-23(17-15-22)47(40,41)38-30-28(45-25-11-6-5-10-24(25)42-4)31(37-29(36-30)26-12-9-21-46-26)43-19-20-44-32(39)35-27-13-7-8-18-34-27/h5-18,21H,19-20H2,1-4H3,(H,34,35,39)(H,36,37,38)
Affinity DataIC50: 30nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290041(CHEMBL70203 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C33H33N7O7S/c1-33(2,3)22-13-15-23(16-14-22)48(42,43)40-28-27(47-25-11-6-5-10-24(25)44-4)31(39-30(38-28)29-35-18-9-19-36-29)45-20-21-46-32(41)37-26-12-7-8-17-34-26/h5-19H,20-21H2,1-4H3,(H,34,37,41)(H,38,39,40)
Affinity DataIC50: 43nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290060(CHEMBL70293 | Pyridin-2-yl-carbamic acid 2-[6-(5-i...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C31H30N8O7S/c1-20(2)21-12-13-25(35-19-21)47(41,42)39-27-26(46-23-10-5-4-9-22(23)43-3)30(38-29(37-27)28-33-15-8-16-34-28)44-17-18-45-31(40)36-24-11-6-7-14-32-24/h4-16,19-20H,17-18H2,1-3H3,(H,32,36,40)(H,37,38,39)
Affinity DataIC50: 49nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290042(CHEMBL70487 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C1CC1
Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)22-14-16-23(17-15-22)45(39,40)37-29-27(44-25-10-6-5-9-24(25)41-4)30(36-28(35-29)21-12-13-21)42-19-20-43-31(38)34-26-11-7-8-18-33-26/h5-11,14-18,21H,12-13,19-20H2,1-4H3,(H,33,34,38)(H,35,36,37)
Affinity DataIC50: 60nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290055(CHEMBL303428 | Pyridin-2-yl-carbamic acid 2-[6-(4-...)
Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)n1
Show InChI InChI=1S/C32H37N5O7S/c1-6-11-27-34-29(37-45(39,40)23-17-15-22(16-18-23)32(2,3)4)28(44-25-13-8-7-12-24(25)41-5)30(35-27)42-20-21-43-31(38)36-26-14-9-10-19-33-26/h7-10,12-19H,6,11,20-21H2,1-5H3,(H,33,36,38)(H,34,35,37)
Affinity DataIC50: 63nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290045(4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCO
Show InChI InChI=1S/C24H29N3O6S/c1-16-25-22(27-34(29,30)18-12-10-17(11-13-18)24(2,3)4)21(23(26-16)32-15-14-28)33-20-9-7-6-8-19(20)31-5/h6-13,28H,14-15H2,1-5H3,(H,25,26,27)
Affinity DataIC50: 70nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290058(4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-methyl-6-[...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCNC(=O)Nc1ccccn1
Show InChI InChI=1S/C30H34N6O6S/c1-20-33-27(36-43(38,39)22-15-13-21(14-16-22)30(2,3)4)26(42-24-11-7-6-10-23(24)40-5)28(34-20)41-19-18-32-29(37)35-25-12-8-9-17-31-25/h6-17H,18-19H2,1-5H3,(H,33,34,36)(H2,31,32,35,37)
Affinity DataIC50: 80nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
Affinity DataIC50: 80nMAssay Description:Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290044(CHEMBL70800 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1ccccn1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)22-15-13-21(14-16-22)30(2,3)4)26(42-24-11-7-6-10-23(24)39-5)28(33-20)40-18-19-41-29(36)34-25-12-8-9-17-31-25/h6-17H,18-19H2,1-5H3,(H,31,34,36)(H,32,33,35)
Affinity DataIC50: 120nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290051(CHEMBL303649 | Pyridin-2-yl-carbamic acid 2-[2-ter...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)(C)C
Show InChI InChI=1S/C33H39N5O7S/c1-32(2,3)22-15-17-23(18-16-22)46(40,41)38-28-27(45-25-13-9-8-12-24(25)42-7)29(37-30(36-28)33(4,5)6)43-20-21-44-31(39)35-26-14-10-11-19-34-26/h8-19H,20-21H2,1-7H3,(H,34,35,39)(H,36,37,38)
Affinity DataIC50: 144nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
Affinity DataIC50: 150nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290049(CHEMBL71070 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)C
Show InChI InChI=1S/C32H37N5O7S/c1-21(2)28-35-29(37-45(39,40)23-16-14-22(15-17-23)32(3,4)5)27(44-25-12-8-7-11-24(25)41-6)30(36-28)42-19-20-43-31(38)34-26-13-9-10-18-33-26/h7-18,21H,19-20H2,1-6H3,(H,33,34,38)(H,35,36,37)
Affinity DataIC50: 160nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290057(CHEMBL70303 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
Show InChI InChI=1S/C29H26N8O7S/c1-19-11-12-23(33-18-19)45(39,40)37-25-24(44-21-9-4-3-8-20(21)41-2)28(36-27(35-25)26-31-14-7-15-32-26)42-16-17-43-29(38)34-22-10-5-6-13-30-22/h3-15,18H,16-17H2,1-2H3,(H,30,34,38)(H,35,36,37)
Affinity DataIC50: 170nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290061(CHEMBL70365 | Pyridin-2-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1cccs1
Show InChI InChI=1S/C33H33N5O7S2/c1-33(2,3)22-14-16-23(17-15-22)47(40,41)38-30-28(45-25-11-6-5-10-24(25)42-4)31(37-29(36-30)26-12-9-21-46-26)43-19-20-44-32(39)35-27-13-7-8-18-34-27/h5-18,21H,19-20H2,1-4H3,(H,34,35,39)(H,36,37,38)
Affinity DataIC50: 200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290054(CHEMBL435895 | Methylamino-acetic acid 2-[6-(4-ter...)
Show SMILES CNCC(=O)OCCOc1nc(C)nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC
Show InChI InChI=1S/C27H34N4O7S/c1-18-29-25(31-39(33,34)20-13-11-19(12-14-20)27(2,3)4)24(38-22-10-8-7-9-21(22)35-6)26(30-18)37-16-15-36-23(32)17-28-5/h7-14,28H,15-17H2,1-6H3,(H,29,30,31)
Affinity DataIC50: 300nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290046(CHEMBL70788 | Pyridin-3-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1cccnc1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)23-14-12-21(13-15-23)30(2,3)4)26(42-25-11-7-6-10-24(25)39-5)28(33-20)40-17-18-41-29(36)34-22-9-8-16-31-19-22/h6-16,19H,17-18H2,1-5H3,(H,34,36)(H,32,33,35)
Affinity DataIC50: 700nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290048(CHEMBL70781 | Nicotinic acid 2-[6-(4-tert-butyl-be...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1cccnc1
Show InChI InChI=1S/C30H32N4O7S/c1-20-32-27(34-42(36,37)23-14-12-22(13-15-23)30(2,3)4)26(41-25-11-7-6-10-24(25)38-5)28(33-20)39-17-18-40-29(35)21-9-8-16-31-19-21/h6-16,19H,17-18H2,1-5H3,(H,32,33,34)
Affinity DataIC50: 770nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290048(CHEMBL70781 | Nicotinic acid 2-[6-(4-tert-butyl-be...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1cccnc1
Show InChI InChI=1S/C30H32N4O7S/c1-20-32-27(34-42(36,37)23-14-12-22(13-15-23)30(2,3)4)26(41-25-11-7-6-10-24(25)38-5)28(33-20)39-17-18-40-29(35)21-9-8-16-31-19-21/h6-16,19H,17-18H2,1-5H3,(H,32,33,34)
Affinity DataIC50: 880nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290046(CHEMBL70788 | Pyridin-3-yl-carbamic acid 2-[6-(4-t...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1cccnc1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)23-14-12-21(13-15-23)30(2,3)4)26(42-25-11-7-6-10-24(25)39-5)28(33-20)40-17-18-41-29(36)34-22-9-8-16-31-19-22/h6-16,19H,17-18H2,1-5H3,(H,34,36)(H,32,33,35)
Affinity DataIC50: 900nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290052(CHEMBL74118 | Furan-3-carboxylic acid 2-[6-(4-tert...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1ccoc1
Show InChI InChI=1S/C29H31N3O8S/c1-19-30-26(32-41(34,35)22-12-10-21(11-13-22)29(2,3)4)25(40-24-9-7-6-8-23(24)36-5)27(31-19)38-16-17-39-28(33)20-14-15-37-18-20/h6-15,18H,16-17H2,1-5H3,(H,30,31,32)
Affinity DataIC50: 1.00E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290052(CHEMBL74118 | Furan-3-carboxylic acid 2-[6-(4-tert...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1ccoc1
Show InChI InChI=1S/C29H31N3O8S/c1-19-30-26(32-41(34,35)22-12-10-21(11-13-22)29(2,3)4)25(40-24-9-7-6-8-23(24)36-5)27(31-19)38-16-17-39-28(33)20-14-15-37-18-20/h6-15,18H,16-17H2,1-5H3,(H,30,31,32)
Affinity DataIC50: 1.10E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290058(4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-methyl-6-[...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCNC(=O)Nc1ccccn1
Show InChI InChI=1S/C30H34N6O6S/c1-20-33-27(36-43(38,39)22-15-13-21(14-16-22)30(2,3)4)26(42-24-11-7-6-10-23(24)40-5)28(34-20)41-19-18-32-29(37)35-25-12-8-9-17-31-25/h6-17H,18-19H2,1-5H3,(H,33,34,36)(H2,31,32,35,37)
Affinity DataIC50: 1.24E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290045(4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCO
Show InChI InChI=1S/C24H29N3O6S/c1-16-25-22(27-34(29,30)18-12-10-17(11-13-18)24(2,3)4)21(23(26-16)32-15-14-28)33-20-9-7-6-8-19(20)31-5/h6-13,28H,14-15H2,1-5H3,(H,25,26,27)
Affinity DataIC50: 1.50E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290054(CHEMBL435895 | Methylamino-acetic acid 2-[6-(4-ter...)
Show SMILES CNCC(=O)OCCOc1nc(C)nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC
Show InChI InChI=1S/C27H34N4O7S/c1-18-29-25(31-39(33,34)20-13-11-19(12-14-20)27(2,3)4)24(38-22-10-8-7-9-21(22)35-6)26(30-18)37-16-15-36-23(32)17-28-5/h7-14,28H,15-17H2,1-6H3,(H,29,30,31)
Affinity DataIC50: 1.70E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290056(CHEMBL307803 | Pyridin-4-yl-carbamic acid 2-[6-(4-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)23-12-10-21(11-13-23)30(2,3)4)26(42-25-9-7-6-8-24(25)39-5)28(33-20)40-18-19-41-29(36)34-22-14-16-31-17-15-22/h6-17H,18-19H2,1-5H3,(H,31,34,36)(H,32,33,35)
Affinity DataIC50: 1.90E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290056(CHEMBL307803 | Pyridin-4-yl-carbamic acid 2-[6-(4-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C30H33N5O7S/c1-20-32-27(35-43(37,38)23-12-10-21(11-13-23)30(2,3)4)26(42-25-9-7-6-8-24(25)39-5)28(33-20)40-18-19-41-29(36)34-22-14-16-31-17-15-22/h6-17H,18-19H2,1-5H3,(H,31,34,36)(H,32,33,35)
Affinity DataIC50: 2.80E+3nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair