BDBM50287886 CHEMBL405796::Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly-Asp-lle-lle-Trp-COOH

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=KCNLGYFTBSIWQS-NLJQFQTLSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50287886   

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-B (Sus scrofa)	BDBM50287886 (CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ET-A (Sus scrofa)	BDBM50287886 (CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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