BDBM50288957 4-[(R)-2-(1H-Indol-3-yl)-1-mercaptomethyl-ethylcarbamoyl]-2-phenyl-butyric acid::CHEMBL157249

SMILES: OC(=O)C(CCC(=O)N[C@@H](CS)Cc1c[nH]c2ccccc12)c1ccccc1

InChI Key: InChIKey=YKMWONLPYBCLTJ-DUSLRRAJSA-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 = 50288957   

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-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50288957 (4-[(R)-2-(1H-Indol-3-yl)-1-mercaptomethyl-ethylcar...) Show SMILES OC(=O)C(CCC(=O)N[C@@H](CS)Cc1c[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C22H24N2O3S/c25-21(11-10-19(22(26)27)15-6-2-1-3-7-15)24-17(14-28)12-16-13-23-20-9-5-4-8-18(16)20/h1-9,13,17,19,23,28H,10-12,14H2,(H,24,25)(H,26,27)/t17-,19?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Endothelin-converting enzyme 1 partially purified from porcine primary aortic endothelial cells				Bioorg Med Chem Lett 6: 619-624 (1996) Article DOI: 10.1016/0960-894X(96)00091-1 BindingDB Entry DOI: 10.7270/Q26973K3
					More data for this Ligand-Target Pair