BDBM50021136 2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-3-(1H-indol-3-yl)-propionic acid ethyl ester::CHEMBL296331

SMILES: CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O

InChI Key: InChIKey=NRBULABTUTWKCG-SFTDATJTSA-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 = 50021136   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021136 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C25H27N3O5/c1-2-33-25(32)21(13-17-14-26-19-9-5-4-8-18(17)19)27-20-12-11-16-7-3-6-10-22(16)28(24(20)31)15-23(29)30/h3-10,14,20-21,26-27H,2,11-13,15H2,1H3,(H,29,30)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair