BDBM50285132 4-[2-carboxy-1-(1-{1-[1-carboxy-2-(1H-3-indolyl)ethylcarbamoyl]-2-methylbutylcarbamoyl}-2-methylbutylcarbamoyl)ethylcarbamoyl]-4-[10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl(methylcarboxamido)methylcarboxamido]butanoic acid::CHEMBL386778

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=HLLCEKGMCSFZNU-JDODLCSSSA-N

Data: 1 IC50

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 1 hit for monomerid = 50285132   

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)	BDBM50285132 (4-[2-carboxy-1-(1-{1-[1-carboxy-2-(1H-3-indolyl)et...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C51H63N7O12/c1-6-27(3)43(48(66)56-39(51(69)70)24-32-26-52-36-19-13-12-16-33(32)36)58-49(67)44(28(4)7-2)57-47(65)38(25-41(62)63)55-46(64)37(22-23-40(60)61)54-50(68)45(53-29(5)59)42-34-17-10-8-14-30(34)20-21-31-15-9-11-18-35(31)42/h8-19,26-28,37-39,42-45,52H,6-7,20-25H2,1-5H3,(H,53,59)(H,54,68)(H,55,64)(H,56,66)(H,57,65)(H,58,67)(H,60,61)(H,62,63)(H,69,70)/t27-,28-,37-,38-,39-,43-,44-,45+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity against ET-A from porcine heart membranes				Bioorg Med Chem Lett 5: 2041-2044 (1995) Article DOI: 10.1016/0960-894X(95)00349-X BindingDB Entry DOI: 10.7270/Q26D5TF8
					More data for this Ligand-Target Pair