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142 similar compounds to monomer 50284011

Compile data set for download or QSAR
Wt: 2563.9
BDBM50368606
Wt: 2491.9
BDBM50289653
Purchase
Wt: 1499.7
BDBM50001730
Wt: 4541.0
BDBM82408
Purchase
Wt: 6956.5
BDBM82544
Wt: 2491.9
BDBM50368777
Wt: 2517.9
BDBM50368772
Wt: 2491.9
BDBM50000558
Wt: 2491.9
BDBM50043322
Wt: 2489.9
BDBM50043324
Wt: 2491.9
BDBM50043326
Wt: 3355.6
BDBM50087746
Wt: 2092.3
BDBM50091858
Wt: 3502.7
BDBM50104038
Wt: 3457.7
BDBM50104042
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 50368606,50289653,50001730,82408,82544,50368777,50368772,50000558,50043322,50043324,50043326,50087746,50091858,50104038,50104042   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Endothelin receptor ET-B


(Sus scrofa)
BDBM50000558
PNG
(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

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0.00800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated


Bioorg Med Chem Lett 6: 2323-2328 (1996)


Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50000558
PNG
(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
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0.0100n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin B receptor in the rat hippocampus


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)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](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin B receptor in the rat hippocampus


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)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](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
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0.0130n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50000558
PNG
(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
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0.0150n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50000558
PNG
(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
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0.0340n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000558
PNG
(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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.0400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated


Bioorg Med Chem Lett 6: 2323-2328 (1996)


Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)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](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0870n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000558
PNG
(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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat aorta


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)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](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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UniChem

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Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
86.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
UniProtKB/SwissProt

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86.9n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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693n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
UniProtKB/SwissProt

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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM82544
PNG
(Alpha-Cobratoxin | CAS_69344-74-7 | COBRATOXIN)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C277H443N97O98S8/c1-17-121(7)207(261(461)339-156(62-69-203(411)412)235(435)364-208(122(8)18-2)262(462)349-165(90-190(288)395)244(444)360-179(114-478)255(455)361-180(115-479)256(456)367-213(127(13)383)266(466)370-212(126(12)382)265(465)351-168(94-205(415)416)246(446)333-148(44-31-77-309-276(299)300)228(428)357-177(112-476)254(454)347-164(89-189(287)394)243(443)352-169(271(471)472)92-192(290)397)362-199(404)104-316-220(420)162(87-187(285)392)345-225(425)145(39-23-26-72-280)338-260(460)206(120(5)6)363-250(450)173(108-378)356-257(457)182-46-33-79-373(182)269(469)181(116-480)325-198(403)102-317-222(422)174(109-473)323-196(401)101-315-218(418)141(40-27-73-305-272(291)292)327-230(430)155(61-68-202(409)410)340-263(463)210(124(10)380)365-233(433)149(45-32-78-310-277(301)302)334-237(437)157(82-131-48-52-136(387)53-49-131)322-195(400)100-314-219(419)142(41-28-74-306-273(293)294)328-240(440)160(85-134-96-303-117-319-134)343-247(447)167(93-204(413)414)348-227(427)147(43-30-76-308-275(297)298)332-239(439)159(84-133-95-311-140-36-20-19-35-138(133)140)342-226(426)146(42-29-75-307-274(295)296)330-223(423)143(37-21-24-70-278)329-224(424)144(38-22-25-71-279)331-238(438)158(83-132-50-54-137(388)55-51-132)341-252(452)178(113-477)359-245(445)166(91-191(289)396)350-264(464)211(125(11)381)366-234(434)150(59-66-200(405)406)321-194(399)99-312-193(398)98-313-221(421)170(105-375)353-251(451)175(110-474)324-197(402)103-318-259(459)209(123(9)379)369-268(468)215(129(15)385)371-267(467)214(128(14)384)368-258(458)183-47-34-80-374(183)270(470)216(130(16)386)372-236(436)153(58-65-186(284)391)337-248(448)171(106-376)355-249(449)172(107-377)354-231(431)152(57-64-185(283)390)335-229(429)151(56-63-184(282)389)336-242(442)163(88-188(286)393)346-241(441)161(86-135-97-304-118-320-135)344-253(453)176(111-475)358-232(432)154(60-67-201(407)408)326-217(417)139(281)81-119(3)4/h19-20,35-36,48-55,95-97,117-130,139,141-183,206-216,311,375-388,473-480H,17-18,21-34,37-47,56-94,98-116,278-281H2,1-16H3,(H2,282,389)(H2,283,390)(H2,284,391)(H2,285,392)(H2,286,393)(H2,287,394)(H2,288,395)(H2,289,396)(H2,290,397)(H,303,319)(H,304,320)(H,312,398)(H,313,421)(H,314,419)(H,315,418)(H,316,420)(H,317,422)(H,318,459)(H,321,399)(H,322,400)(H,323,401)(H,324,402)(H,325,403)(H,326,417)(H,327,430)(H,328,440)(H,329,424)(H,330,423)(H,331,438)(H,332,439)(H,333,446)(H,334,437)(H,335,429)(H,336,442)(H,337,448)(H,338,460)(H,339,461)(H,340,463)(H,341,452)(H,342,426)(H,343,447)(H,344,453)(H,345,425)(H,346,441)(H,347,454)(H,348,427)(H,349,462)(H,350,464)(H,351,465)(H,352,443)(H,353,451)(H,354,431)(H,355,449)(H,356,457)(H,357,428)(H,358,432)(H,359,445)(H,360,444)(H,361,455)(H,362,404)(H,363,450)(H,364,435)(H,365,433)(H,366,434)(H,367,456)(H,368,458)(H,369,468)(H,370,466)(H,371,467)(H,372,436)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,471,472)(H4,291,292,305)(H4,293,294,306)(H4,295,296,307)(H4,297,298,308)(H4,299,300,309)(H4,301,302,310)/t121-,122-,123+,124+,125+,126+,127+,128+,129+,130+,139-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-/m0/s1
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 159-66 (1994)


BindingDB Entry DOI: 10.7270/Q22Z141C
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82408
PNG
(ACTH | ACTH-(1-39) | CAS_12279-41-3)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Erythropoietin receptor


(Homo sapiens (Human))
BDBM50091858
PNG
(CHEMBL440818 | GGQPK-cyclic-(CVWTLPGFHC)-YSTGG-NH2)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C94H134N26O25S2/c1-48(2)32-65-94(145)119-30-14-21-69(119)88(139)103-43-76(130)107-61(33-52-16-8-7-9-17-52)81(132)110-64(36-55-39-99-47-105-55)83(134)115-67(86(137)109-62(34-53-23-25-56(124)26-24-53)82(133)113-66(44-121)85(136)117-78(50(5)122)90(141)104-41-74(128)101-40-72(98)126)45-146-147-46-68(87(138)116-77(49(3)4)91(142)111-63(84(135)118-79(51(6)123)92(143)112-65)35-54-38-100-58-19-11-10-18-57(54)58)114-80(131)59(20-12-13-29-95)108-89(140)70-22-15-31-120(70)93(144)60(27-28-71(97)125)106-75(129)42-102-73(127)37-96/h7-11,16-19,23-26,38-39,47-51,59-70,77-79,100,121-124H,12-15,20-22,27-37,40-46,95-96H2,1-6H3,(H2,97,125)(H2,98,126)(H,99,105)(H,101,128)(H,102,127)(H,103,139)(H,104,141)(H,106,129)(H,107,130)(H,108,140)(H,109,137)(H,110,132)(H,111,142)(H,112,143)(H,113,133)(H,114,131)(H,115,134)(H,116,138)(H,117,136)(H,118,135)/t50-,51-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+,70+,77+,78+,79+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [125I]-EPO binding to Erythropoietin receptor (EBP)


Bioorg Med Chem Lett 10: 1995-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00399-1
BindingDB Entry DOI: 10.7270/Q2TH8KXD
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50289653
PNG
(ENDOTHELIN | ET-1 | Endothelin 1 | Et 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](Cc1c[nH]cn1)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
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity to ET-B receptor on bovine cerebellum membrane


Bioorg Med Chem Lett 7: 1715-1720 (1997)


Article DOI: 10.1016/S0960-894X(97)00296-5
BindingDB Entry DOI: 10.7270/Q27081F2
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50368772
PNG
(CHEMBL2373291)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C112H165N25O31S5/c1-11-59(8)90(110(165)128-80(112(167)168)43-64-46-116-69-27-19-18-26-67(64)69)136-102(157)77(41-62-24-16-13-17-25-62)127-111(166)91(60(9)141)137-101(156)74(39-57(4)5)121-99(154)78(44-65-47-115-55-117-65)124-106(161)84-52-171-170-51-68(114)92(147)129-81(48-138)105(160)134-85-53-172-173-54-86(108(163)135-89(58(6)7)109(164)126-76(42-63-29-31-66(142)32-30-63)97(152)123-75(98(153)133-84)40-61-22-14-12-15-23-61)132-94(149)71(33-34-87(143)144)119-93(148)70(28-20-21-36-113)118-100(155)79(45-88(145)146)125-95(150)72(35-37-169-10)120-96(151)73(38-56(2)3)122-103(158)82(49-139)130-104(159)83(50-140)131-107(85)162/h12,14-15,18-19,22-23,26-27,29-32,46-47,55-60,62,68,70-86,89-91,116,138-142H,11,13,16-17,20-21,24-25,28,33-45,48-54,113-114H2,1-10H3,(H,115,117)(H,118,155)(H,119,148)(H,120,151)(H,121,154)(H,122,158)(H,123,152)(H,124,161)(H,125,150)(H,126,164)(H,127,166)(H,128,165)(H,129,147)(H,130,159)(H,131,162)(H,132,149)(H,133,153)(H,134,160)(H,135,163)(H,136,157)(H,137,156)(H,143,144)(H,145,146)(H,167,168)/t59-,60+,68+,70+,71-,72+,73-,74-,75-,76+,77-,78-,79?,80-,81-,82+,83-,84-,85+,86-,89-,90-,91-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50043324
PNG
(CHEMBL411171 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)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/C111H165N25O30S5/c1-14-59(11)89(109(163)127-79(111(165)166)42-63-45-115-68-26-20-19-25-66(63)68)136-110(164)90(60(12)15-2)135-101(155)74(39-57(7)8)121-96(150)73(38-56(5)6)120-99(153)77(43-64-46-114-54-116-64)124-105(159)83-51-169-168-50-67(113)91(145)128-80(47-137)104(158)133-84-52-170-171-53-85(107(161)134-88(58(9)10)108(162)126-76(41-62-28-30-65(140)31-29-62)97(151)123-75(98(152)132-83)40-61-23-17-16-18-24-61)131-93(147)70(32-33-86(141)142)118-92(146)69(27-21-22-35-112)117-100(154)78(44-87(143)144)125-94(148)71(34-36-167-13)119-95(149)72(37-55(3)4)122-102(156)81(48-138)129-103(157)82(49-139)130-106(84)160/h16-20,23-26,28-31,45-46,54-60,67,69-85,88-90,115,137-140H,14-15,21-22,27,32-44,47-53,112-113H2,1-13H3,(H,114,116)(H,117,154)(H,118,146)(H,119,149)(H,120,153)(H,121,150)(H,122,156)(H,123,151)(H,124,159)(H,125,148)(H,126,162)(H,127,163)(H,128,145)(H,129,157)(H,130,160)(H,131,147)(H,132,152)(H,133,158)(H,134,161)(H,135,155)(H,136,164)(H,141,142)(H,143,144)(H,165,166)/t59-,60-,67+,69+,70-,71+,72-,73-,74-,75-,76+,77-,78-,79-,80-,81+,82-,83-,84+,85+,88-,89-,90-/m0/s1
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UniChem

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PubMed
n/an/an/a 5.01E+3n/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000558
PNG
(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
UniProtKB/SwissProt

antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 7: 2223-2228 (1997)


Article DOI: 10.1016/S0960-894X(97)00400-9
BindingDB Entry DOI: 10.7270/Q2WQ049M
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000558
PNG
(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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptor


Bioorg Med Chem Lett 7: 2223-2228 (1997)


Article DOI: 10.1016/S0960-894X(97)00400-9
BindingDB Entry DOI: 10.7270/Q2WQ049M
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000558
PNG
(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
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n/an/an/a 0.150n/an/an/an/an/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 receptor ET-B


(Bos taurus)
BDBM50368772
PNG
(CHEMBL2373291)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C112H165N25O31S5/c1-11-59(8)90(110(165)128-80(112(167)168)43-64-46-116-69-27-19-18-26-67(64)69)136-102(157)77(41-62-24-16-13-17-25-62)127-111(166)91(60(9)141)137-101(156)74(39-57(4)5)121-99(154)78(44-65-47-115-55-117-65)124-106(161)84-52-171-170-51-68(114)92(147)129-81(48-138)105(160)134-85-53-172-173-54-86(108(163)135-89(58(6)7)109(164)126-76(42-63-29-31-66(142)32-30-63)97(152)123-75(98(153)133-84)40-61-22-14-12-15-23-61)132-94(149)71(33-34-87(143)144)119-93(148)70(28-20-21-36-113)118-100(155)79(45-88(145)146)125-95(150)72(35-37-169-10)120-96(151)73(38-56(2)3)122-103(158)82(49-139)130-104(159)83(50-140)131-107(85)162/h12,14-15,18-19,22-23,26-27,29-32,46-47,55-60,62,68,70-86,89-91,116,138-142H,11,13,16-17,20-21,24-25,28,33-45,48-54,113-114H2,1-10H3,(H,115,117)(H,118,155)(H,119,148)(H,120,151)(H,121,154)(H,122,158)(H,123,152)(H,124,161)(H,125,150)(H,126,164)(H,127,166)(H,128,165)(H,129,147)(H,130,159)(H,131,162)(H,132,149)(H,133,153)(H,134,160)(H,135,163)(H,136,157)(H,137,156)(H,143,144)(H,145,146)(H,167,168)/t59-,60+,68+,70+,71-,72+,73-,74-,75-,76+,77-,78-,79?,80-,81-,82+,83-,84-,85+,86-,89-,90-,91-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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KEGG
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UniChem

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Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50043322
PNG
(CHEMBL427748 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)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/C109H159N25O32S5/c1-12-57(10)88(108(164)126-77(109(165)166)39-60-43-113-65-23-17-16-22-63(60)65)134-100(156)71(36-55(6)7)119-99(155)76(42-86(143)144)124-94(150)70(35-54(4)5)118-97(153)74(40-61-44-112-52-114-61)122-104(160)81-49-169-168-48-64(111)89(145)127-78(45-135)103(159)132-82-50-170-171-51-83(106(162)133-87(56(8)9)107(163)125-73(38-59-25-27-62(138)28-26-59)95(151)121-72(96(152)131-81)37-58-20-14-13-15-21-58)130-91(147)67(29-30-84(139)140)116-90(146)66(24-18-19-32-110)115-98(154)75(41-85(141)142)123-92(148)68(31-33-167-11)117-93(149)69(34-53(2)3)120-101(157)79(46-136)128-102(158)80(47-137)129-105(82)161/h13-17,20-23,25-28,43-44,52-57,64,66-83,87-88,113,135-138H,12,18-19,24,29-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,155)(H,120,157)(H,121,151)(H,122,160)(H,123,148)(H,124,150)(H,125,163)(H,126,164)(H,127,145)(H,128,158)(H,129,161)(H,130,147)(H,131,152)(H,132,159)(H,133,162)(H,134,156)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t57-,64+,66+,67-,68+,69-,70-,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,87-,88-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 0.170n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50043324
PNG
(CHEMBL411171 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)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/C111H165N25O30S5/c1-14-59(11)89(109(163)127-79(111(165)166)42-63-45-115-68-26-20-19-25-66(63)68)136-110(164)90(60(12)15-2)135-101(155)74(39-57(7)8)121-96(150)73(38-56(5)6)120-99(153)77(43-64-46-114-54-116-64)124-105(159)83-51-169-168-50-67(113)91(145)128-80(47-137)104(158)133-84-52-170-171-53-85(107(161)134-88(58(9)10)108(162)126-76(41-62-28-30-65(140)31-29-62)97(151)123-75(98(152)132-83)40-61-23-17-16-18-24-61)131-93(147)70(32-33-86(141)142)118-92(146)69(27-21-22-35-112)117-100(154)78(44-87(143)144)125-94(148)71(34-36-167-13)119-95(149)72(37-55(3)4)122-102(156)81(48-138)129-103(157)82(49-139)130-106(84)160/h16-20,23-26,28-31,45-46,54-60,67,69-85,88-90,115,137-140H,14-15,21-22,27,32-44,47-53,112-113H2,1-13H3,(H,114,116)(H,117,154)(H,118,146)(H,119,149)(H,120,153)(H,121,150)(H,122,156)(H,123,151)(H,124,159)(H,125,148)(H,126,162)(H,127,163)(H,128,145)(H,129,157)(H,130,160)(H,131,147)(H,132,152)(H,133,158)(H,134,161)(H,135,155)(H,136,164)(H,141,142)(H,143,144)(H,165,166)/t59-,60-,67+,69+,70-,71+,72-,73-,74-,75-,76+,77-,78-,79-,80-,81+,82-,83-,84+,85+,88-,89-,90-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000558
PNG
(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
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n/an/a 0.150n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50368777
PNG
(CHEMBL2373292)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H163N25O31S5/c1-14-57(8)87(107(163)125-76(109(165)166)40-61-44-114-66-25-19-18-24-64(61)66)134-99(155)77(43-110(10,11)12)126-108(164)88(58(9)139)135-98(154)71(37-55(4)5)119-96(152)74(41-62-45-113-53-115-62)122-103(159)81-50-169-168-49-65(112)89(145)127-78(46-136)102(158)132-82-51-170-171-52-83(105(161)133-86(56(6)7)106(162)124-73(39-60-27-29-63(140)30-28-60)94(150)121-72(95(151)131-81)38-59-22-16-15-17-23-59)130-91(147)68(31-32-84(141)142)117-90(146)67(26-20-21-34-111)116-97(153)75(42-85(143)144)123-92(148)69(33-35-167-13)118-93(149)70(36-54(2)3)120-100(156)79(47-137)128-101(157)80(48-138)129-104(82)160/h15-19,22-25,27-30,44-45,53-58,65,67-83,86-88,114,136-140H,14,20-21,26,31-43,46-52,111-112H2,1-13H3,(H,113,115)(H,116,153)(H,117,146)(H,118,149)(H,119,152)(H,120,156)(H,121,150)(H,122,159)(H,123,148)(H,124,162)(H,125,163)(H,126,164)(H,127,145)(H,128,157)(H,129,160)(H,130,147)(H,131,151)(H,132,158)(H,133,161)(H,134,155)(H,135,154)(H,141,142)(H,143,144)(H,165,166)/t57-,58+,65+,67+,68-,69+,70?,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,86-,87-,88-/m0/s1
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n/an/a 0.420n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50043326
PNG
(CHEMBL438733 | c(Cys-Ser-Cys)-Ser-Ser-Leu-Met-Asp-...)
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](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)NC(=O)[C@H]2CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N2)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)80-50-170-171-51-82(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(160)81-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81/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
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n/an/a 0.0930n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50043324
PNG
(CHEMBL411171 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)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/C111H165N25O30S5/c1-14-59(11)89(109(163)127-79(111(165)166)42-63-45-115-68-26-20-19-25-66(63)68)136-110(164)90(60(12)15-2)135-101(155)74(39-57(7)8)121-96(150)73(38-56(5)6)120-99(153)77(43-64-46-114-54-116-64)124-105(159)83-51-169-168-50-67(113)91(145)128-80(47-137)104(158)133-84-52-170-171-53-85(107(161)134-88(58(9)10)108(162)126-76(41-62-28-30-65(140)31-29-62)97(151)123-75(98(152)132-83)40-61-23-17-16-18-24-61)131-93(147)70(32-33-86(141)142)118-92(146)69(27-21-22-35-112)117-100(154)78(44-87(143)144)125-94(148)71(34-36-167-13)119-95(149)72(37-55(3)4)122-102(156)81(48-138)129-103(157)82(49-139)130-106(84)160/h16-20,23-26,28-31,45-46,54-60,67,69-85,88-90,115,137-140H,14-15,21-22,27,32-44,47-53,112-113H2,1-13H3,(H,114,116)(H,117,154)(H,118,146)(H,119,149)(H,120,153)(H,121,150)(H,122,156)(H,123,151)(H,124,159)(H,125,148)(H,126,162)(H,127,163)(H,128,145)(H,129,157)(H,130,160)(H,131,147)(H,132,152)(H,133,158)(H,134,161)(H,135,155)(H,136,164)(H,141,142)(H,143,144)(H,165,166)/t59-,60-,67+,69+,70-,71+,72-,73-,74-,75-,76+,77-,78-,79-,80-,81+,82-,83-,84+,85+,88-,89-,90-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50368772
PNG
(CHEMBL2373291)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C112H165N25O31S5/c1-11-59(8)90(110(165)128-80(112(167)168)43-64-46-116-69-27-19-18-26-67(64)69)136-102(157)77(41-62-24-16-13-17-25-62)127-111(166)91(60(9)141)137-101(156)74(39-57(4)5)121-99(154)78(44-65-47-115-55-117-65)124-106(161)84-52-171-170-51-68(114)92(147)129-81(48-138)105(160)134-85-53-172-173-54-86(108(163)135-89(58(6)7)109(164)126-76(42-63-29-31-66(142)32-30-63)97(152)123-75(98(153)133-84)40-61-22-14-12-15-23-61)132-94(149)71(33-34-87(143)144)119-93(148)70(28-20-21-36-113)118-100(155)79(45-88(145)146)125-95(150)72(35-37-169-10)120-96(151)73(38-56(2)3)122-103(158)82(49-139)130-104(159)83(50-140)131-107(85)162/h12,14-15,18-19,22-23,26-27,29-32,46-47,55-60,62,68,70-86,89-91,116,138-142H,11,13,16-17,20-21,24-25,28,33-45,48-54,113-114H2,1-10H3,(H,115,117)(H,118,155)(H,119,148)(H,120,151)(H,121,154)(H,122,158)(H,123,152)(H,124,161)(H,125,150)(H,126,164)(H,127,166)(H,128,165)(H,129,147)(H,130,159)(H,131,162)(H,132,149)(H,133,153)(H,134,160)(H,135,163)(H,136,157)(H,137,156)(H,143,144)(H,145,146)(H,167,168)/t59-,60+,68+,70+,71-,72+,73-,74-,75-,76+,77-,78-,79?,80-,81-,82+,83-,84-,85+,86-,89-,90-,91-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50043322
PNG
(CHEMBL427748 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)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/C109H159N25O32S5/c1-12-57(10)88(108(164)126-77(109(165)166)39-60-43-113-65-23-17-16-22-63(60)65)134-100(156)71(36-55(6)7)119-99(155)76(42-86(143)144)124-94(150)70(35-54(4)5)118-97(153)74(40-61-44-112-52-114-61)122-104(160)81-49-169-168-48-64(111)89(145)127-78(45-135)103(159)132-82-50-170-171-51-83(106(162)133-87(56(8)9)107(163)125-73(38-59-25-27-62(138)28-26-59)95(151)121-72(96(152)131-81)37-58-20-14-13-15-21-58)130-91(147)67(29-30-84(139)140)116-90(146)66(24-18-19-32-110)115-98(154)75(41-85(141)142)123-92(148)68(31-33-167-11)117-93(149)69(34-53(2)3)120-101(157)79(46-136)128-102(158)80(47-137)129-105(82)161/h13-17,20-23,25-28,43-44,52-57,64,66-83,87-88,113,135-138H,12,18-19,24,29-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,155)(H,120,157)(H,121,151)(H,122,160)(H,123,148)(H,124,150)(H,125,163)(H,126,164)(H,127,145)(H,128,158)(H,129,161)(H,130,147)(H,131,152)(H,132,159)(H,133,162)(H,134,156)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t57-,64+,66+,67-,68+,69-,70-,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,87-,88-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50043326
PNG
(CHEMBL438733 | c(Cys-Ser-Cys)-Ser-Ser-Leu-Met-Asp-...)
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](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)NC(=O)[C@H]2CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N2)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)80-50-170-171-51-82(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(160)81-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81/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
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n/an/a 5.90n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Bos taurus)
BDBM50000558
PNG
(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

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UniProtKB/SwissProt

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n/an/a 0.120n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50000558
PNG
(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
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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000558
PNG
(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
UniProtKB/SwissProt

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n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50104038
PNG
(CHEMBL410553 | His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C150H217N43O49S3/c1-70(2)49-93(129(222)172-92(44-48-243-8)128(221)179-99(56-112(156)206)138(231)193-120(74(7)200)148(241)242)174-132(225)98(54-79-60-164-85-26-16-15-25-83(79)85)178-127(220)91(40-43-111(155)205)173-145(238)117(71(3)4)191-136(229)96(50-75-21-11-9-12-22-75)177-133(226)100(57-114(208)209)180-126(219)90(39-42-110(154)204)171-143(236)107-67-244-245-68-108(144(237)182-102(59-116(212)213)135(228)186-105(65-196)141(234)169-87(28-19-46-162-149(157)158)123(216)167-88(125(218)188-107)29-20-47-163-150(159)160)189-131(224)95(53-78-32-36-82(202)37-33-78)175-124(217)86(27-17-18-45-151)168-140(233)104(64-195)185-130(223)94(52-77-30-34-81(201)35-31-77)176-134(227)101(58-115(210)211)181-142(235)106(66-197)187-147(240)119(73(6)199)192-137(230)97(51-76-23-13-10-14-24-76)183-146(239)118(72(5)198)190-113(207)62-165-122(215)89(38-41-109(153)203)170-139(232)103(63-194)184-121(214)84(152)55-80-61-161-69-166-80/h9-16,21-26,30-37,60-61,69-74,84,86-108,117-120,164,194-202H,17-20,27-29,38-59,62-68,151-152H2,1-8H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H,161,166)(H,165,215)(H,167,216)(H,168,233)(H,169,234)(H,170,232)(H,171,236)(H,172,222)(H,173,238)(H,174,225)(H,175,217)(H,176,227)(H,177,226)(H,178,220)(H,179,221)(H,180,219)(H,181,235)(H,182,237)(H,183,239)(H,184,214)(H,185,223)(H,186,228)(H,187,240)(H,188,218)(H,189,224)(H,190,207)(H,191,229)(H,192,230)(H,193,231)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,157,158,162)(H4,159,160,163)/t72-,73-,74-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+/m1/s1
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n/an/a 562n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration


J Med Chem 44: 3109-16 (2001)


Article DOI: 10.1021/jm010091q
BindingDB Entry DOI: 10.7270/Q2154HR7
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50104042
PNG
(CHEMBL437465 | His-Ser-Gln-Gly-Thr-Phe-Cys-Ser-Asp...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C149H214N42O48S3/c1-69(2)47-92(128(219)170-91(43-46-240-10)127(218)178-99(55-112(154)203)138(229)191-119(74(9)197)147(238)239)173-133(224)98(53-79-59-162-85-26-18-17-25-83(79)85)177-126(217)90(39-42-111(153)202)171-145(236)117(71(5)6)190-137(228)97(50-76-23-15-12-16-24-76)175-134(225)100(56-114(205)206)179-125(216)89(38-41-110(152)201)166-120(211)72(7)165-123(214)86(27-19-44-160-148(155)156)167-124(215)87(28-20-45-161-149(157)158)168-140(231)104(63-193)185-136(227)102(58-116(209)210)180-129(220)93(48-70(3)4)172-130(221)94(51-77-29-33-81(198)34-30-77)176-143(234)107-66-241-242-67-108(144(235)186-105(64-194)141(232)181-101(57-115(207)208)135(226)174-95(52-78-31-35-82(199)36-32-78)131(222)184-106(65-195)142(233)188-107)187-132(223)96(49-75-21-13-11-14-22-75)182-146(237)118(73(8)196)189-113(204)61-163-122(213)88(37-40-109(151)200)169-139(230)103(62-192)183-121(212)84(150)54-80-60-159-68-164-80/h11-18,21-26,29-36,59-60,68-74,84,86-108,117-119,162,192-199H,19-20,27-28,37-58,61-67,150H2,1-10H3,(H2,151,200)(H2,152,201)(H2,153,202)(H2,154,203)(H,159,164)(H,163,213)(H,165,214)(H,166,211)(H,167,215)(H,168,231)(H,169,230)(H,170,219)(H,171,236)(H,172,221)(H,173,224)(H,174,226)(H,175,225)(H,176,234)(H,177,217)(H,178,218)(H,179,216)(H,180,220)(H,181,232)(H,182,237)(H,183,212)(H,184,222)(H,185,227)(H,186,235)(H,187,223)(H,188,233)(H,189,204)(H,190,228)(H,191,229)(H,205,206)(H,207,208)(H,209,210)(H,238,239)(H4,155,156,160)(H4,157,158,161)/t72-,73+,74+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 558n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration


J Med Chem 44: 3109-16 (2001)


Article DOI: 10.1021/jm010091q
BindingDB Entry DOI: 10.7270/Q2154HR7
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000558
PNG
(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
UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0470n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of ETA receptor in human SK-N-MC cells after 60 mins by scintillation counting


J Nat Prod 72: 2172-6 (2009)


Article DOI: 10.1021/np900287e
BindingDB Entry DOI: 10.7270/Q2MC910T
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00800n/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in BHK cells assessed as cAMP accumulation


Proc Natl Acad Sci U S A 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.510n/an/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Binding affinity to human GLP1 receptor expressed in BHK cells


Proc Natl Acad Sci U S A 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50368777
PNG
(CHEMBL2373292)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H163N25O31S5/c1-14-57(8)87(107(163)125-76(109(165)166)40-61-44-114-66-25-19-18-24-64(61)66)134-99(155)77(43-110(10,11)12)126-108(164)88(58(9)139)135-98(154)71(37-55(4)5)119-96(152)74(41-62-45-113-53-115-62)122-103(159)81-50-169-168-49-65(112)89(145)127-78(46-136)102(158)132-82-51-170-171-52-83(105(161)133-86(56(6)7)106(162)124-73(39-60-27-29-63(140)30-28-60)94(150)121-72(95(151)131-81)38-59-22-16-15-17-23-59)130-91(147)68(31-32-84(141)142)117-90(146)67(26-20-21-34-111)116-97(153)75(42-85(143)144)123-92(148)69(33-35-167-13)118-93(149)70(36-54(2)3)120-100(156)79(47-137)128-101(157)80(48-138)129-104(82)160/h15-19,22-25,27-30,44-45,53-58,65,67-83,86-88,114,136-140H,14,20-21,26,31-43,46-52,111-112H2,1-13H3,(H,113,115)(H,116,153)(H,117,146)(H,118,149)(H,119,152)(H,120,156)(H,121,150)(H,122,159)(H,123,148)(H,124,162)(H,125,163)(H,126,164)(H,127,145)(H,128,157)(H,129,160)(H,130,147)(H,131,151)(H,132,158)(H,133,161)(H,134,155)(H,135,154)(H,141,142)(H,143,144)(H,165,166)/t57-,58+,65+,67+,68-,69+,70?,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,86-,87-,88-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 19.9n/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000558
PNG
(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
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2223-2228 (1997)


Article DOI: 10.1016/S0960-894X(97)00400-9
BindingDB Entry DOI: 10.7270/Q2WQ049M
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells


J Med Chem 43: 1664-9 (2000)


Article DOI: 10.1021/jm9909645
BindingDB Entry DOI: 10.7270/Q2MK6C4P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001730
PNG
(CHEMBL3238061)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C67H86N16O16S4/c1-3-5-15-44-57(88)75-46(24-37-18-20-40(85)21-19-37)59(90)82-53(67(98)99)34-103-102-33-52-64(95)79-49(30-84)61(92)78-48(26-39-29-69-35-71-39)66(97)83-22-11-17-54(83)65(96)73-42(4-2)56(87)80-51(32-101-100-31-50(62(93)81-52)72-55(86)27-68)63(94)76-45(23-36-12-7-6-8-13-36)58(89)77-47(60(91)74-44)25-38-28-70-43-16-10-9-14-41(38)43/h6-10,12-14,16,18-21,28-29,35,42,44-54,70,84-85H,3-5,11,15,17,22-27,30-34,68H2,1-2H3,(H,69,71)(H,72,86)(H,73,96)(H,74,91)(H,75,88)(H,76,94)(H,77,89)(H,78,92)(H,79,95)(H,80,87)(H,81,93)(H,82,90)(H,98,99)/t42-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50368777
PNG
(CHEMBL2373292)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H163N25O31S5/c1-14-57(8)87(107(163)125-76(109(165)166)40-61-44-114-66-25-19-18-24-64(61)66)134-99(155)77(43-110(10,11)12)126-108(164)88(58(9)139)135-98(154)71(37-55(4)5)119-96(152)74(41-62-45-113-53-115-62)122-103(159)81-50-169-168-49-65(112)89(145)127-78(46-136)102(158)132-82-51-170-171-52-83(105(161)133-86(56(6)7)106(162)124-73(39-60-27-29-63(140)30-28-60)94(150)121-72(95(151)131-81)38-59-22-16-15-17-23-59)130-91(147)68(31-32-84(141)142)117-90(146)67(26-20-21-34-111)116-97(153)75(42-85(143)144)123-92(148)69(33-35-167-13)118-93(149)70(36-54(2)3)120-100(156)79(47-137)128-101(157)80(48-138)129-104(82)160/h15-19,22-25,27-30,44-45,53-58,65,67-83,86-88,114,136-140H,14,20-21,26,31-43,46-52,111-112H2,1-13H3,(H,113,115)(H,116,153)(H,117,146)(H,118,149)(H,119,152)(H,120,156)(H,121,150)(H,122,159)(H,123,148)(H,124,162)(H,125,163)(H,126,164)(H,127,145)(H,128,157)(H,129,160)(H,130,147)(H,131,151)(H,132,158)(H,133,161)(H,134,155)(H,135,154)(H,141,142)(H,143,144)(H,165,166)/t57-,58+,65+,67+,68-,69+,70?,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,86-,87-,88-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor


J Med Chem 36: 4087-93 (1994)


Article DOI: 10.1021/jm00077a013
BindingDB Entry DOI: 10.7270/Q2FT8MPC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM50001730
PNG
(CHEMBL3238061)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C67H86N16O16S4/c1-3-5-15-44-57(88)75-46(24-37-18-20-40(85)21-19-37)59(90)82-53(67(98)99)34-103-102-33-52-64(95)79-49(30-84)61(92)78-48(26-39-29-69-35-71-39)66(97)83-22-11-17-54(83)65(96)73-42(4-2)56(87)80-51(32-101-100-31-50(62(93)81-52)72-55(86)27-68)63(94)76-45(23-36-12-7-6-8-13-36)58(89)77-47(60(91)74-44)25-38-28-70-43-16-10-9-14-41(38)43/h6-10,12-14,16,18-21,28-29,35,42,44-54,70,84-85H,3-5,11,15,17,22-27,30-34,68H2,1-2H3,(H,69,71)(H,72,86)(H,73,96)(H,74,91)(H,75,88)(H,76,94)(H,77,89)(H,78,92)(H,79,95)(H,80,87)(H,81,93)(H,82,90)(H,98,99)/t42-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50001730
PNG
(CHEMBL3238061)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C67H86N16O16S4/c1-3-5-15-44-57(88)75-46(24-37-18-20-40(85)21-19-37)59(90)82-53(67(98)99)34-103-102-33-52-64(95)79-49(30-84)61(92)78-48(26-39-29-69-35-71-39)66(97)83-22-11-17-54(83)65(96)73-42(4-2)56(87)80-51(32-101-100-31-50(62(93)81-52)72-55(86)27-68)63(94)76-45(23-36-12-7-6-8-13-36)58(89)77-47(60(91)74-44)25-38-28-70-43-16-10-9-14-41(38)43/h6-10,12-14,16,18-21,28-29,35,42,44-54,70,84-85H,3-5,11,15,17,22-27,30-34,68H2,1-2H3,(H,69,71)(H,72,86)(H,73,96)(H,74,91)(H,75,88)(H,76,94)(H,77,89)(H,78,92)(H,79,95)(H,80,87)(H,81,93)(H,82,90)(H,98,99)/t42-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair