Found 3 hits for monomerid = 50368776 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Endothelin receptor ET-A
(Sus scrofa) | BDBM50368776
(CHEMBL1790962)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H161N25O31S5/c1-13-57(10)87(107(162)125-77(109(164)165)40-61-43-113-66-24-18-17-23-64(61)66)133-98(153)72(37-55(6)7)123-108(163)88(58(11)138)134-99(154)71(36-54(4)5)118-96(151)75(41-62-44-112-52-114-62)121-103(158)81-49-168-167-48-65(111)89(144)126-78(45-135)102(157)131-82-50-169-170-51-83(105(160)132-86(56(8)9)106(161)124-74(39-60-26-28-63(139)29-27-60)94(149)120-73(95(150)130-81)38-59-21-15-14-16-22-59)129-91(146)68(30-31-84(140)141)116-90(145)67(25-19-20-33-110)115-97(152)76(42-85(142)143)122-92(147)69(32-34-166-12)117-93(148)70(35-53(2)3)119-100(155)79(46-136)127-101(156)80(47-137)128-104(82)159/h14-18,21-24,26-29,43-44,52-58,65,67-83,86-88,113,135-139H,13,19-20,25,30-42,45-51,110-111H2,1-12H3,(H,112,114)(H,115,152)(H,116,145)(H,117,148)(H,118,151)(H,119,155)(H,120,149)(H,121,158)(H,122,147)(H,123,163)(H,124,161)(H,125,162)(H,126,144)(H,127,156)(H,128,159)(H,129,146)(H,130,150)(H,131,157)(H,132,160)(H,133,153)(H,134,154)(H,140,141)(H,142,143)(H,164,165)/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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2FT8MPC |
More data for this Ligand-Target Pair | |
Endothelin receptor ET-A
(Sus scrofa) | BDBM50368776
(CHEMBL1790962)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H161N25O31S5/c1-13-57(10)87(107(162)125-77(109(164)165)40-61-43-113-66-24-18-17-23-64(61)66)133-98(153)72(37-55(6)7)123-108(163)88(58(11)138)134-99(154)71(36-54(4)5)118-96(151)75(41-62-44-112-52-114-62)121-103(158)81-49-168-167-48-65(111)89(144)126-78(45-135)102(157)131-82-50-169-170-51-83(105(160)132-86(56(8)9)106(161)124-74(39-60-26-28-63(139)29-27-60)94(149)120-73(95(150)130-81)38-59-21-15-14-16-22-59)129-91(146)68(30-31-84(140)141)116-90(145)67(25-19-20-33-110)115-97(152)76(42-85(142)143)122-92(147)69(32-34-166-12)117-93(148)70(35-53(2)3)119-100(155)79(46-136)127-101(156)80(47-137)128-104(82)159/h14-18,21-24,26-29,43-44,52-58,65,67-83,86-88,113,135-139H,13,19-20,25,30-42,45-51,110-111H2,1-12H3,(H,112,114)(H,115,152)(H,116,145)(H,117,148)(H,118,151)(H,119,155)(H,120,149)(H,121,158)(H,122,147)(H,123,163)(H,124,161)(H,125,162)(H,126,144)(H,127,156)(H,128,159)(H,129,146)(H,130,150)(H,131,157)(H,132,160)(H,133,153)(H,134,154)(H,140,141)(H,142,143)(H,164,165)/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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2FT8MPC |
More data for this Ligand-Target Pair | |
Endothelin receptor ET-B
(Bos taurus) | BDBM50368776
(CHEMBL1790962)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H161N25O31S5/c1-13-57(10)87(107(162)125-77(109(164)165)40-61-43-113-66-24-18-17-23-64(61)66)133-98(153)72(37-55(6)7)123-108(163)88(58(11)138)134-99(154)71(36-54(4)5)118-96(151)75(41-62-44-112-52-114-62)121-103(158)81-49-168-167-48-65(111)89(144)126-78(45-135)102(157)131-82-50-169-170-51-83(105(160)132-86(56(8)9)106(161)124-74(39-60-26-28-63(139)29-27-60)94(149)120-73(95(150)130-81)38-59-21-15-14-16-22-59)129-91(146)68(30-31-84(140)141)116-90(145)67(25-19-20-33-110)115-97(152)76(42-85(142)143)122-92(147)69(32-34-166-12)117-93(148)70(35-53(2)3)119-100(155)79(46-136)127-101(156)80(47-137)128-104(82)159/h14-18,21-24,26-29,43-44,52-58,65,67-83,86-88,113,135-139H,13,19-20,25,30-42,45-51,110-111H2,1-12H3,(H,112,114)(H,115,152)(H,116,145)(H,117,148)(H,118,151)(H,119,155)(H,120,149)(H,121,158)(H,122,147)(H,123,163)(H,124,161)(H,125,162)(H,126,144)(H,127,156)(H,128,159)(H,129,146)(H,130,150)(H,131,157)(H,132,160)(H,133,153)(H,134,154)(H,140,141)(H,142,143)(H,164,165)/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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2FT8MPC |
More data for this Ligand-Target Pair | |