Found 23 hits of kd for UniProtKB: P26684 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Endothelin-1 receptor
(RAT) | BDBM50279790
(CHEMBL414286 | Endothelin derivative)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](C)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/C109H159N25O31S5/c1-13-56(9)87(107(162)126-77(109(164)165)40-61-44-113-66-25-19-18-24-64(61)66)134-108(163)88(57(10)14-2)133-100(155)76(43-85(142)143)124-95(150)71(37-54(5)6)119-98(153)74(41-62-45-112-52-114-62)122-103(158)81-50-168-167-48-65(111)90(145)115-58(11)89(144)129-80-49-169-170-51-82(105(160)132-86(55(7)8)106(161)125-73(39-60-27-29-63(137)30-28-60)96(151)121-72(97(152)131-81)38-59-22-16-15-17-23-59)130-92(147)68(31-32-83(138)139)117-91(146)67(26-20-21-34-110)116-99(154)75(42-84(140)141)123-93(148)69(33-35-166-12)118-94(149)70(36-53(3)4)120-101(156)78(46-135)127-102(157)79(47-136)128-104(80)159/h15-19,22-25,27-30,44-45,52-58,65,67-82,86-88,113,135-137H,13-14,20-21,26,31-43,46-51,110-111H2,1-12H3,(H,112,114)(H,115,145)(H,116,154)(H,117,146)(H,118,149)(H,119,153)(H,120,156)(H,121,151)(H,122,158)(H,123,148)(H,124,150)(H,125,161)(H,126,162)(H,127,157)(H,128,159)(H,129,144)(H,130,147)(H,131,152)(H,132,160)(H,133,155)(H,134,163)(H,138,139)(H,140,141)(H,142,143)(H,164,165)/t56-,57-,58+,65+,67-,68+,69-,70+,71-,72+,73-,74-,75+,76-,77-,78-,79+,80-,81+,82-,86+,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279791
(CHEMBL442316 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)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/C108H159N25O30S5/c1-13-56(9)86(106(160)124-76(108(162)163)40-61-43-112-66-25-19-18-24-64(61)66)133-107(161)87(57(10)14-2)132-88(142)58(11)114-93(147)70(36-53(3)4)118-97(151)74(41-62-44-111-52-113-62)121-102(156)80-49-166-165-48-65(110)89(143)125-77(45-134)101(155)130-81-50-167-168-51-82(104(158)131-85(55(7)8)105(159)123-73(39-60-27-29-63(137)30-28-60)95(149)120-72(96(150)129-80)38-59-22-16-15-17-23-59)128-91(145)68(31-32-83(138)139)116-90(144)67(26-20-21-34-109)115-98(152)75(42-84(140)141)122-92(146)69(33-35-164-12)117-94(148)71(37-54(5)6)119-99(153)78(46-135)126-100(154)79(47-136)127-103(81)157/h15-19,22-25,27-30,43-44,52-58,65,67-82,85-87,112,134-137H,13-14,20-21,26,31-42,45-51,109-110H2,1-12H3,(H,111,113)(H,114,147)(H,115,152)(H,116,144)(H,117,148)(H,118,151)(H,119,153)(H,120,149)(H,121,156)(H,122,146)(H,123,159)(H,124,160)(H,125,143)(H,126,154)(H,127,157)(H,128,145)(H,129,150)(H,130,155)(H,131,158)(H,132,142)(H,133,161)(H,138,139)(H,140,141)(H,162,163)/t56-,57-,58-,65+,67-,68+,69-,70-,71+,72+,73-,74-,75+,76-,77+,78-,79+,80+,81-,82-,85+,86-,87-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279795
(CHEMBL438027 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](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/C106H153N25O32S5/c1-11-53(7)84(104(160)122-73(106(162)163)37-58-41-110-63-23-17-16-22-61(58)63)131-105(161)85(54(8)12-2)130-96(152)72(40-82(140)141)116-86(142)55(9)112-91(147)70(38-59-42-109-50-111-59)119-100(156)77-47-166-165-46-62(108)87(143)123-74(43-132)99(155)128-78-48-167-168-49-79(102(158)129-83(52(5)6)103(159)121-69(36-57-25-27-60(135)28-26-57)93(149)118-68(94(150)127-77)35-56-20-14-13-15-21-56)126-89(145)65(29-30-80(136)137)114-88(144)64(24-18-19-32-107)113-95(151)71(39-81(138)139)120-90(146)66(31-33-164-10)115-92(148)67(34-51(3)4)117-97(153)75(44-133)124-98(154)76(45-134)125-101(78)157/h13-17,20-23,25-28,41-42,50-55,62,64-79,83-85,110,132-135H,11-12,18-19,24,29-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,147)(H,113,151)(H,114,144)(H,115,148)(H,116,142)(H,117,153)(H,118,149)(H,119,156)(H,120,146)(H,121,159)(H,122,160)(H,123,143)(H,124,154)(H,125,157)(H,126,145)(H,127,150)(H,128,155)(H,129,158)(H,130,152)(H,131,161)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t53-,54-,55-,62+,64-,65+,66-,67+,68+,69-,70-,71+,72-,73-,74+,75-,76+,77+,78-,79-,83+,84-,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50449470
(CHEMBL125377)Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)Nc1ccccc1)C(C)(C)C |c:11| Show InChI InChI=1S/C43H54N2O13/c1-22-26(56-37(52)31(49)33(39(3,4)5)45-38(53)44-25-17-13-10-14-18-25)20-43(54)35(57-36(51)24-15-11-9-12-16-24)32-41(8,34(50)30(48)29(22)40(43,6)7)27(47)19-28-42(32,21-55-28)58-23(2)46/h9-18,26-28,30-33,35,47-49,54H,19-21H2,1-8H3,(H2,44,45,53)/t26-,27-,28+,30+,31+,32-,33+,35-,41+,42-,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | n/a | 3.92E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279787
(CHEMBL386629 | Endothelin derivative)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](C)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/C107H157N25O30S5/c1-13-55(9)85(105(159)123-75(107(161)162)38-60-42-111-65-25-19-18-24-63(60)65)132-106(160)86(56(10)14-2)131-97(151)74(41-83(139)140)121-92(146)69(35-53(5)6)116-95(149)72(39-61-43-110-51-112-61)119-101(155)79-48-165-164-47-64(109)88(142)124-76(44-133)100(154)129-80-49-166-167-50-81(103(157)130-84(54(7)8)104(158)122-71(37-59-27-29-62(136)30-28-59)93(147)118-70(94(148)128-79)36-58-22-16-15-17-23-58)127-87(141)57(11)113-89(143)66(26-20-21-32-108)114-96(150)73(40-82(137)138)120-90(144)67(31-33-163-12)115-91(145)68(34-52(3)4)117-98(152)77(45-134)125-99(153)78(46-135)126-102(80)156/h15-19,22-25,27-30,42-43,51-57,64,66-81,84-86,111,133-136H,13-14,20-21,26,31-41,44-50,108-109H2,1-12H3,(H,110,112)(H,113,143)(H,114,150)(H,115,145)(H,116,149)(H,117,152)(H,118,147)(H,119,155)(H,120,144)(H,121,146)(H,122,158)(H,123,159)(H,124,142)(H,125,153)(H,126,156)(H,127,141)(H,128,148)(H,129,154)(H,130,157)(H,131,151)(H,132,160)(H,137,138)(H,139,140)(H,161,162)/t55-,56-,57+,64+,66-,67-,68+,69-,70+,71-,72-,73+,74-,75-,76+,77-,78+,79+,80-,81-,84+,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279789
(CHEMBL409577 | Endothelin derivative)Show SMILES CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC1=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C110H163N25O32S2/c1-14-17-28-69-95(151)125-77(44-85(142)143)101(157)119-70(30-23-24-37-111)94(150)120-71(35-36-84(140)141)93(149)116-60(13)91(147)133-87(56(8)9)107(163)127-75(41-62-31-33-65(139)34-32-62)98(154)123-74(40-61-25-19-18-20-26-61)99(155)132-83(52-169-168-51-67(112)92(148)130-80(48-136)103(159)117-59(12)90(146)129-81(49-137)105(161)131-82(50-138)104(160)122-72(38-54(4)5)96(152)118-69)106(162)124-76(43-64-47-113-53-115-64)100(156)121-73(39-55(6)7)97(153)126-78(45-86(144)145)102(158)134-89(58(11)16-3)109(165)135-88(57(10)15-2)108(164)128-79(110(166)167)42-63-46-114-68-29-22-21-27-66(63)68/h18-22,25-27,29,31-34,46-47,53-60,67,69-83,87-89,114,136-139H,14-17,23-24,28,30,35-45,48-52,111-112H2,1-13H3,(H,113,115)(H,116,149)(H,117,159)(H,118,152)(H,119,157)(H,120,150)(H,121,156)(H,122,160)(H,123,154)(H,124,162)(H,125,151)(H,126,153)(H,127,163)(H,128,164)(H,129,146)(H,130,148)(H,131,161)(H,132,155)(H,133,147)(H,134,158)(H,135,165)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t57-,58-,59-,60-,67+,69-,70-,71+,72+,73-,74+,75-,76-,77+,78-,79-,80+,81+,82-,83+,87+,88-,89-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279792
(CHEMBL412467 | Endothelin derivative)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(=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/C107H155N25O32S5/c1-11-54(7)85(105(161)124-75(107(163)164)38-59-42-111-64-23-17-16-22-62(59)64)132-106(162)86(55(8)12-2)131-98(154)74(41-84(141)142)123-93(149)69(35-53(5)6)118-96(152)72(39-60-43-110-51-112-60)121-103(159)80-49-167-166-47-63(109)88(144)125-76(44-133)101(157)130-81-50-169-168-48-79(102(158)113-56(9)87(143)117-70(37-58-25-27-61(136)28-26-58)94(150)120-71(95(151)129-80)36-57-20-14-13-15-21-57)128-90(146)66(29-30-82(137)138)115-89(145)65(24-18-19-32-108)114-97(153)73(40-83(139)140)122-91(147)67(31-33-165-10)116-92(148)68(34-52(3)4)119-99(155)77(45-134)126-100(156)78(46-135)127-104(81)160/h13-17,20-23,25-28,42-43,51-56,63,65-81,85-86,111,133-136H,11-12,18-19,24,29-41,44-50,108-109H2,1-10H3,(H,110,112)(H,113,158)(H,114,153)(H,115,145)(H,116,148)(H,117,143)(H,118,152)(H,119,155)(H,120,150)(H,121,159)(H,122,147)(H,123,149)(H,124,161)(H,125,144)(H,126,156)(H,127,160)(H,128,146)(H,129,151)(H,130,157)(H,131,154)(H,132,162)(H,137,138)(H,139,140)(H,141,142)(H,163,164)/t54-,55-,56+,63+,65-,66+,67-,68+,69-,70-,71+,72-,73+,74-,75-,76+,77-,78+,79-,80+,81-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50000558
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279794
(CHEMBL438470 | Endothelin derivative)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](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)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/C104H149N25O30S4/c1-13-51(7)82(102(156)122-73(104(158)159)37-59-41-108-64-25-19-18-24-62(59)64)129-103(157)83(52(8)14-2)128-96(150)72(40-80(136)137)120-91(145)67(34-49(3)4)117-94(148)70(38-60-42-107-48-109-60)119-99(153)76-46-161-160-44-63(106)88(142)123-74(43-130)97(151)126-75-45-162-163-47-77(100(154)127-81(50(5)6)101(155)121-69(36-58-27-29-61(131)30-28-58)92(146)118-68(93(147)125-76)35-57-22-16-15-17-23-57)124-90(144)66(31-32-78(132)133)115-89(143)65(26-20-21-33-105)114-95(149)71(39-79(134)135)116-87(141)56(12)112-85(139)54(10)110-84(138)53(9)111-86(140)55(11)113-98(75)152/h15-19,22-25,27-30,41-42,48-56,63,65-77,81-83,108,130-131H,13-14,20-21,26,31-40,43-47,105-106H2,1-12H3,(H,107,109)(H,110,138)(H,111,140)(H,112,139)(H,113,152)(H,114,149)(H,115,143)(H,116,141)(H,117,148)(H,118,146)(H,119,153)(H,120,145)(H,121,155)(H,122,156)(H,123,142)(H,124,144)(H,125,147)(H,126,151)(H,127,154)(H,128,150)(H,129,157)(H,132,133)(H,134,135)(H,136,137)(H,158,159)/t51-,52-,53-,54+,55+,56-,63+,65-,66+,67-,68+,69-,70-,71+,72-,73-,74+,75-,76+,77-,81+,82-,83-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279796
(CHEMBL407887 | Endothelin derivative)Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC1=O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C103H147N25O32S5/c1-49(2)31-65-90(146)113-64(28-30-161-9)88(144)118-71(38-81(137)138)95(151)111-62(21-15-16-29-104)86(142)112-63(26-27-79(133)134)87(143)125-78-47-165-164-46-77(100(156)124-75(43-131)97(153)123-74(42-130)96(152)115-65)127-98(154)73(41-129)122-85(141)60(105)44-162-163-45-76(126-93(149)67(33-54-17-11-10-12-18-54)116-92(148)68(34-55-22-24-58(132)25-23-55)120-102(158)82(51(5)6)128-101(78)157)99(155)117-69(36-57-40-106-48-108-57)94(150)114-66(32-50(3)4)91(147)119-70(37-80(135)136)89(145)110-52(7)83(139)109-53(8)84(140)121-72(103(159)160)35-56-39-107-61-20-14-13-19-59(56)61/h10-14,17-20,22-25,39-40,48-53,60,62-78,82,107,129-132H,15-16,21,26-38,41-47,104-105H2,1-9H3,(H,106,108)(H,109,139)(H,110,145)(H,111,151)(H,112,142)(H,113,146)(H,114,150)(H,115,152)(H,116,148)(H,117,155)(H,118,144)(H,119,147)(H,120,158)(H,121,140)(H,122,141)(H,123,153)(H,124,156)(H,125,143)(H,126,149)(H,127,154)(H,128,157)(H,133,134)(H,135,136)(H,137,138)(H,159,160)/t52-,53-,60+,62-,63+,64-,65+,66-,67+,68-,69-,70-,71+,72-,73+,74-,75+,76+,77-,78-,82+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 929 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279797
(CHEMBL412346 | Endothelin derivative)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](C)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/C106H157N23O32S5/c1-13-54(9)84(104(158)120-73(106(160)161)40-59-43-109-63-25-19-18-24-61(59)63)129-105(159)85(55(10)14-2)128-96(150)72(42-82(138)139)118-92(146)67(36-51(3)4)114-86(140)56(11)110-100(154)77-48-164-163-47-62(108)87(141)121-74(44-130)99(153)126-78-49-165-166-50-79(102(156)127-83(53(7)8)103(157)119-70(39-58-27-29-60(133)30-28-58)93(147)116-69(94(148)125-77)38-57-22-16-15-17-23-57)124-89(143)65(31-32-80(134)135)112-88(142)64(26-20-21-34-107)111-95(149)71(41-81(136)137)117-90(144)66(33-35-162-12)113-91(145)68(37-52(5)6)115-97(151)75(45-131)122-98(152)76(46-132)123-101(78)155/h15-19,22-25,27-30,43,51-56,62,64-79,83-85,109,130-133H,13-14,20-21,26,31-42,44-50,107-108H2,1-12H3,(H,110,154)(H,111,149)(H,112,142)(H,113,145)(H,114,140)(H,115,151)(H,116,147)(H,117,144)(H,118,146)(H,119,157)(H,120,158)(H,121,141)(H,122,152)(H,123,155)(H,124,143)(H,125,148)(H,126,153)(H,127,156)(H,128,150)(H,129,159)(H,134,135)(H,136,137)(H,138,139)(H,160,161)/t54-,55-,56-,62+,64-,65+,66-,67-,68+,69+,70-,71+,72-,73-,74+,75-,76+,77+,78-,79-,83+,84-,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279798
(CHEMBL410001 | Endothelin derivative)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](C)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/C108H159N25O30S5/c1-13-56(9)86(106(160)124-76(108(162)163)40-61-43-112-66-25-19-18-24-64(61)66)133-107(161)87(57(10)14-2)132-98(152)75(42-84(140)141)122-94(148)71(37-54(5)6)118-97(151)74(41-62-44-111-52-113-62)121-102(156)80-49-166-165-48-65(110)89(143)125-77(45-134)101(155)130-81-50-167-168-51-82(104(158)131-85(55(7)8)105(159)123-73(39-60-27-29-63(137)30-28-60)95(149)120-72(96(150)129-80)38-59-22-16-15-17-23-59)128-92(146)68(31-32-83(138)139)116-91(145)67(26-20-21-34-109)115-88(142)58(11)114-90(144)69(33-35-164-12)117-93(147)70(36-53(3)4)119-99(153)78(46-135)126-100(154)79(47-136)127-103(81)157/h15-19,22-25,27-30,43-44,52-58,65,67-82,85-87,112,134-137H,13-14,20-21,26,31-42,45-51,109-110H2,1-12H3,(H,111,113)(H,114,144)(H,115,142)(H,116,145)(H,117,147)(H,118,151)(H,119,153)(H,120,149)(H,121,156)(H,122,148)(H,123,159)(H,124,160)(H,125,143)(H,126,154)(H,127,157)(H,128,146)(H,129,150)(H,130,155)(H,131,158)(H,132,152)(H,133,161)(H,138,139)(H,140,141)(H,162,163)/t56-,57-,58+,65+,67-,68+,69-,70+,71-,72+,73-,74-,75-,76-,77+,78-,79+,80+,81-,82-,85+,86-,87-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 3.07E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279800
(CHEMBL409578 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[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](NC(C)=O)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@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C111H161N25O33S5/c1-13-57(9)89(109(166)127-77(111(168)169)40-62-44-114-66-25-19-18-24-65(62)66)136-110(167)90(58(10)14-2)135-100(157)76(43-87(146)147)125-95(152)71(37-55(5)6)120-98(155)74(41-63-45-113-53-115-63)123-105(162)82-50-172-171-49-81(116-59(11)140)104(161)129-80(48-139)103(160)133-83-51-173-174-52-84(107(164)134-88(56(7)8)108(165)126-73(39-61-27-29-64(141)30-28-61)96(153)122-72(97(154)132-82)38-60-22-16-15-17-23-60)131-92(149)68(31-32-85(142)143)118-91(148)67(26-20-21-34-112)117-99(156)75(42-86(144)145)124-93(150)69(33-35-170-12)119-94(151)70(36-54(3)4)121-101(158)78(46-137)128-102(159)79(47-138)130-106(83)163/h15-19,22-25,27-30,44-45,53-58,67-84,88-90,114,137-139,141H,13-14,20-21,26,31-43,46-52,112H2,1-12H3,(H,113,115)(H,116,140)(H,117,156)(H,118,148)(H,119,151)(H,120,155)(H,121,158)(H,122,153)(H,123,162)(H,124,150)(H,125,152)(H,126,165)(H,127,166)(H,128,159)(H,129,161)(H,130,163)(H,131,149)(H,132,154)(H,133,160)(H,134,164)(H,135,157)(H,136,167)(H,142,143)(H,144,145)(H,146,147)(H,168,169)/t57-,58-,67-,68+,69-,70+,71-,72+,73-,74-,75+,76-,77-,78-,79+,80+,81+,82+,83-,84-,88+,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279801
(CHEMBL263581 | Endothelin derivative)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)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C106H153N25O32S5/c1-11-54(8)85(105(161)112-55(9)86(142)123-74(106(162)163)37-58-41-110-63-22-16-15-21-61(58)63)131-97(153)73(40-83(140)141)121-92(148)68(34-52(4)5)116-95(151)71(38-59-42-109-50-111-59)119-101(157)78-47-166-165-46-62(108)87(143)124-75(43-132)100(156)129-79-48-167-168-49-80(103(159)130-84(53(6)7)104(160)122-70(36-57-24-26-60(135)27-25-57)93(149)118-69(94(150)128-78)35-56-19-13-12-14-20-56)127-89(145)65(28-29-81(136)137)114-88(144)64(23-17-18-31-107)113-96(152)72(39-82(138)139)120-90(146)66(30-32-164-10)115-91(147)67(33-51(2)3)117-98(154)76(44-133)125-99(155)77(45-134)126-102(79)158/h12-16,19-22,24-27,41-42,50-55,62,64-80,84-85,110,132-135H,11,17-18,23,28-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,161)(H,113,152)(H,114,144)(H,115,147)(H,116,151)(H,117,154)(H,118,149)(H,119,157)(H,120,146)(H,121,148)(H,122,160)(H,123,142)(H,124,143)(H,125,155)(H,126,158)(H,127,145)(H,128,150)(H,129,156)(H,130,159)(H,131,153)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t54-,55-,62+,64-,65+,66-,67+,68-,69+,70-,71-,72+,73-,74-,75+,76-,77+,78+,79-,80-,84+,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50366240
(CHEMBL1790883)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](C)C(O)=O Show InChI InChI=1S/C101H154N24O32S5/c1-13-51(9)79(99(154)106-53(11)101(156)157)125-100(155)80(52(10)14-2)124-91(146)68(38-77(134)135)115-86(141)63(33-49(5)6)110-89(144)66(36-56-39-104-47-105-56)113-95(150)72-44-160-159-43-58(103)81(136)117-69(40-126)94(149)122-73-45-161-162-46-74(97(152)123-78(50(7)8)98(153)116-65(35-55-23-25-57(129)26-24-55)87(142)112-64(88(143)121-72)34-54-20-16-15-17-21-54)120-83(138)60(27-28-75(130)131)108-82(137)59(22-18-19-30-102)107-90(145)67(37-76(132)133)114-84(139)61(29-31-158-12)109-85(140)62(32-48(3)4)111-92(147)70(41-127)118-93(148)71(42-128)119-96(73)151/h15-17,20-21,23-26,39,47-53,58-74,78-80,126-129H,13-14,18-19,22,27-38,40-46,102-103H2,1-12H3,(H,104,105)(H,106,154)(H,107,145)(H,108,137)(H,109,140)(H,110,144)(H,111,147)(H,112,142)(H,113,150)(H,114,139)(H,115,141)(H,116,153)(H,117,136)(H,118,148)(H,119,151)(H,120,138)(H,121,143)(H,122,149)(H,123,152)(H,124,146)(H,125,155)(H,130,131)(H,132,133)(H,134,135)(H,156,157)/t51-,52-,53-,58+,59-,60+,61-,62+,63-,64+,65-,66-,67+,68-,69+,70-,71+,72+,73-,74-,78+,79-,80-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279788
(CHEMBL409171 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)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](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C106H153N25O32S5/c1-11-54(8)85(105(161)123-74(106(162)163)37-58-41-110-63-22-16-15-21-61(58)63)131-86(142)55(9)112-91(147)72(39-82(138)139)121-93(149)68(34-52(4)5)116-96(152)71(38-59-42-109-50-111-59)119-101(157)78-47-166-165-46-62(108)87(143)124-75(43-132)100(156)129-79-48-167-168-49-80(103(159)130-84(53(6)7)104(160)122-70(36-57-24-26-60(135)27-25-57)94(150)118-69(95(151)128-78)35-56-19-13-12-14-20-56)127-89(145)65(28-29-81(136)137)114-88(144)64(23-17-18-31-107)113-97(153)73(40-83(140)141)120-90(146)66(30-32-164-10)115-92(148)67(33-51(2)3)117-98(154)76(44-133)125-99(155)77(45-134)126-102(79)158/h12-16,19-22,24-27,41-42,50-55,62,64-80,84-85,110,132-135H,11,17-18,23,28-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,147)(H,113,153)(H,114,144)(H,115,148)(H,116,152)(H,117,154)(H,118,150)(H,119,157)(H,120,146)(H,121,149)(H,122,160)(H,123,161)(H,124,143)(H,125,155)(H,126,158)(H,127,145)(H,128,151)(H,129,156)(H,130,159)(H,131,142)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t54-,55-,62+,64-,65+,66-,67+,68-,69+,70-,71-,72-,73+,74-,75+,76-,77+,78+,79-,80-,84+,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279803
(CHEMBL268318 | Endothelin derivative)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](C)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/C103H155N25O32S5/c1-13-51(9)81(101(157)119-70(103(159)160)34-55-38-107-60-20-16-15-19-58(55)60)128-102(158)82(52(10)14-2)127-93(149)69(37-79(137)138)117-90(146)65(32-49(5)6)113-91(147)67(35-56-39-106-47-108-56)115-97(153)74-44-163-162-43-59(105)84(140)120-71(40-129)96(152)125-75-45-164-165-46-76(99(155)126-80(50(7)8)100(156)118-66(33-54-22-24-57(132)25-23-54)88(144)109-53(11)83(139)123-74)124-86(142)62(26-27-77(133)134)111-85(141)61(21-17-18-29-104)110-92(148)68(36-78(135)136)116-87(143)63(28-30-161-12)112-89(145)64(31-48(3)4)114-94(150)72(41-130)121-95(151)73(42-131)122-98(75)154/h15-16,19-20,22-25,38-39,47-53,59,61-76,80-82,107,129-132H,13-14,17-18,21,26-37,40-46,104-105H2,1-12H3,(H,106,108)(H,109,144)(H,110,148)(H,111,141)(H,112,145)(H,113,147)(H,114,150)(H,115,153)(H,116,143)(H,117,146)(H,118,156)(H,119,157)(H,120,140)(H,121,151)(H,122,154)(H,123,139)(H,124,142)(H,125,152)(H,126,155)(H,127,149)(H,128,158)(H,133,134)(H,135,136)(H,137,138)(H,159,160)/t51-,52-,53+,59+,61-,62+,63-,64+,65-,66-,67-,68+,69-,70-,71+,72-,73+,74+,75-,76-,80+,81-,82-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 646 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279795
(CHEMBL438027 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](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/C106H153N25O32S5/c1-11-53(7)84(104(160)122-73(106(162)163)37-58-41-110-63-23-17-16-22-61(58)63)131-105(161)85(54(8)12-2)130-96(152)72(40-82(140)141)116-86(142)55(9)112-91(147)70(38-59-42-109-50-111-59)119-100(156)77-47-166-165-46-62(108)87(143)123-74(43-132)99(155)128-78-48-167-168-49-79(102(158)129-83(52(5)6)103(159)121-69(36-57-25-27-60(135)28-26-57)93(149)118-68(94(150)127-77)35-56-20-14-13-15-21-56)126-89(145)65(29-30-80(136)137)114-88(144)64(24-18-19-32-107)113-95(151)71(39-81(138)139)120-90(146)66(31-33-164-10)115-92(148)67(34-51(3)4)117-97(153)75(44-133)124-98(154)76(45-134)125-101(78)157/h13-17,20-23,25-28,41-42,50-55,62,64-79,83-85,110,132-135H,11-12,18-19,24,29-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,147)(H,113,151)(H,114,144)(H,115,148)(H,116,142)(H,117,153)(H,118,149)(H,119,156)(H,120,146)(H,121,159)(H,122,160)(H,123,143)(H,124,154)(H,125,157)(H,126,145)(H,127,150)(H,128,155)(H,129,158)(H,130,152)(H,131,161)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t53-,54-,55-,62+,64-,65+,66-,67+,68+,69-,70-,71+,72-,73-,74+,75-,76+,77+,78-,79-,83+,84-,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279788
(CHEMBL409171 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)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](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C106H153N25O32S5/c1-11-54(8)85(105(161)123-74(106(162)163)37-58-41-110-63-22-16-15-21-61(58)63)131-86(142)55(9)112-91(147)72(39-82(138)139)121-93(149)68(34-52(4)5)116-96(152)71(38-59-42-109-50-111-59)119-101(157)78-47-166-165-46-62(108)87(143)124-75(43-132)100(156)129-79-48-167-168-49-80(103(159)130-84(53(6)7)104(160)122-70(36-57-24-26-60(135)27-25-57)94(150)118-69(95(151)128-78)35-56-19-13-12-14-20-56)127-89(145)65(28-29-81(136)137)114-88(144)64(23-17-18-31-107)113-97(153)73(40-83(140)141)120-90(146)66(30-32-164-10)115-92(148)67(33-51(2)3)117-98(154)76(44-133)125-99(155)77(45-134)126-102(79)158/h12-16,19-22,24-27,41-42,50-55,62,64-80,84-85,110,132-135H,11,17-18,23,28-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,147)(H,113,153)(H,114,144)(H,115,148)(H,116,152)(H,117,154)(H,118,150)(H,119,157)(H,120,146)(H,121,149)(H,122,160)(H,123,161)(H,124,143)(H,125,155)(H,126,158)(H,127,145)(H,128,151)(H,129,156)(H,130,159)(H,131,142)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t54-,55-,62+,64-,65+,66-,67+,68-,69+,70-,71-,72-,73+,74-,75+,76-,77+,78+,79-,80-,84+,85-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279792
(CHEMBL412467 | Endothelin derivative)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(=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/C107H155N25O32S5/c1-11-54(7)85(105(161)124-75(107(163)164)38-59-42-111-64-23-17-16-22-62(59)64)132-106(162)86(55(8)12-2)131-98(154)74(41-84(141)142)123-93(149)69(35-53(5)6)118-96(152)72(39-60-43-110-51-112-60)121-103(159)80-49-167-166-47-63(109)88(144)125-76(44-133)101(157)130-81-50-169-168-48-79(102(158)113-56(9)87(143)117-70(37-58-25-27-61(136)28-26-58)94(150)120-71(95(151)129-80)36-57-20-14-13-15-21-57)128-90(146)66(29-30-82(137)138)115-89(145)65(24-18-19-32-108)114-97(153)73(40-83(139)140)122-91(147)67(31-33-165-10)116-92(148)68(34-52(3)4)119-99(155)77(45-134)126-100(156)78(46-135)127-104(81)160/h13-17,20-23,25-28,42-43,51-56,63,65-81,85-86,111,133-136H,11-12,18-19,24,29-41,44-50,108-109H2,1-10H3,(H,110,112)(H,113,158)(H,114,153)(H,115,145)(H,116,148)(H,117,143)(H,118,152)(H,119,155)(H,120,150)(H,121,159)(H,122,147)(H,123,149)(H,124,161)(H,125,144)(H,126,156)(H,127,160)(H,128,146)(H,129,151)(H,130,157)(H,131,154)(H,132,162)(H,137,138)(H,139,140)(H,141,142)(H,163,164)/t54-,55-,56+,63+,65-,66+,67-,68+,69-,70-,71+,72-,73+,74-,75-,76+,77-,78+,79-,80+,81-,85-,86-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279789
(CHEMBL409577 | Endothelin derivative)Show SMILES CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC1=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C110H163N25O32S2/c1-14-17-28-69-95(151)125-77(44-85(142)143)101(157)119-70(30-23-24-37-111)94(150)120-71(35-36-84(140)141)93(149)116-60(13)91(147)133-87(56(8)9)107(163)127-75(41-62-31-33-65(139)34-32-62)98(154)123-74(40-61-25-19-18-20-26-61)99(155)132-83(52-169-168-51-67(112)92(148)130-80(48-136)103(159)117-59(12)90(146)129-81(49-137)105(161)131-82(50-138)104(160)122-72(38-54(4)5)96(152)118-69)106(162)124-76(43-64-47-113-53-115-64)100(156)121-73(39-55(6)7)97(153)126-78(45-86(144)145)102(158)134-89(58(11)16-3)109(165)135-88(57(10)15-2)108(164)128-79(110(166)167)42-63-46-114-68-29-22-21-27-66(63)68/h18-22,25-27,29,31-34,46-47,53-60,67,69-83,87-89,114,136-139H,14-17,23-24,28,30,35-45,48-52,111-112H2,1-13H3,(H,113,115)(H,116,149)(H,117,159)(H,118,152)(H,119,157)(H,120,150)(H,121,156)(H,122,160)(H,123,154)(H,124,162)(H,125,151)(H,126,153)(H,127,163)(H,128,164)(H,129,146)(H,130,148)(H,131,161)(H,132,155)(H,133,147)(H,134,158)(H,135,165)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t57-,58-,59-,60-,67+,69-,70-,71+,72+,73-,74+,75-,76-,77+,78-,79-,80+,81+,82-,83+,87+,88-,89-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279790
(CHEMBL414286 | Endothelin derivative)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](C)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/C109H159N25O31S5/c1-13-56(9)87(107(162)126-77(109(164)165)40-61-44-113-66-25-19-18-24-64(61)66)134-108(163)88(57(10)14-2)133-100(155)76(43-85(142)143)124-95(150)71(37-54(5)6)119-98(153)74(41-62-45-112-52-114-62)122-103(158)81-50-168-167-48-65(111)90(145)115-58(11)89(144)129-80-49-169-170-51-82(105(160)132-86(55(7)8)106(161)125-73(39-60-27-29-63(137)30-28-60)96(151)121-72(97(152)131-81)38-59-22-16-15-17-23-59)130-92(147)68(31-32-83(138)139)117-91(146)67(26-20-21-34-110)116-99(154)75(42-84(140)141)123-93(148)69(33-35-166-12)118-94(149)70(36-53(3)4)120-101(156)78(46-135)127-102(157)79(47-136)128-104(80)159/h15-19,22-25,27-30,44-45,52-58,65,67-82,86-88,113,135-137H,13-14,20-21,26,31-43,46-51,110-111H2,1-12H3,(H,112,114)(H,115,145)(H,116,154)(H,117,146)(H,118,149)(H,119,153)(H,120,156)(H,121,151)(H,122,158)(H,123,148)(H,124,150)(H,125,161)(H,126,162)(H,127,157)(H,128,159)(H,129,144)(H,130,147)(H,131,152)(H,132,160)(H,133,155)(H,134,163)(H,138,139)(H,140,141)(H,142,143)(H,164,165)/t56-,57-,58+,65+,67-,68+,69-,70+,71-,72+,73-,74-,75+,76-,77-,78-,79+,80-,81+,82-,86+,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50279791
(CHEMBL442316 | Endothelin derivative)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)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/C108H159N25O30S5/c1-13-56(9)86(106(160)124-76(108(162)163)40-61-43-112-66-25-19-18-24-64(61)66)133-107(161)87(57(10)14-2)132-88(142)58(11)114-93(147)70(36-53(3)4)118-97(151)74(41-62-44-111-52-113-62)121-102(156)80-49-166-165-48-65(110)89(143)125-77(45-134)101(155)130-81-50-167-168-51-82(104(158)131-85(55(7)8)105(159)123-73(39-60-27-29-63(137)30-28-60)95(149)120-72(96(150)129-80)38-59-22-16-15-17-23-59)128-91(145)68(31-32-83(138)139)116-90(144)67(26-20-21-34-109)115-98(152)75(42-84(140)141)122-92(146)69(33-35-164-12)117-94(148)71(37-54(5)6)119-99(153)78(46-135)126-100(154)79(47-136)127-103(81)157/h15-19,22-25,27-30,43-44,52-58,65,67-82,85-87,112,134-137H,13-14,20-21,26,31-42,45-51,109-110H2,1-12H3,(H,111,113)(H,114,147)(H,115,152)(H,116,144)(H,117,148)(H,118,151)(H,119,153)(H,120,149)(H,121,156)(H,122,146)(H,123,159)(H,124,160)(H,125,143)(H,126,154)(H,127,157)(H,128,145)(H,129,150)(H,130,155)(H,131,158)(H,132,142)(H,133,161)(H,138,139)(H,140,141)(H,162,163)/t56-,57-,58-,65+,67-,68+,69-,70-,71+,72+,73-,74-,75+,76-,77+,78-,79+,80+,81-,82-,85+,86-,87-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1) |
Bioorg Med Chem Lett 1: 33-38 (1991)
Article DOI: 10.1016/S0960-894X(01)81085-4
BindingDB Entry DOI: 10.7270/Q2QV3N0R |
More data for this
Ligand-Target Pair | |
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