BDBM50021184 1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-octahydro-indole-2-carboxylic acid::CHEMBL40435

SMILES: OC(=O)[C@@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)NC(=O)OCc1ccccc1

InChI Key: InChIKey=IVXOVTQLQGFEFD-MHORFTMASA-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 = 50021184   

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 (Oryctolagus cuniculus)	BDBM50021184 (1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-oct...) Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H28N2O7/c25-19(24-17-9-5-4-8-15(17)12-18(24)21(28)29)11-10-16(20(26)27)23-22(30)31-13-14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,23,30)(H,26,27)(H,28,29)/t15-,16+,17-,18-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme from rabbit lung				J Med Chem 28: 1606-11 (1985) BindingDB Entry DOI: 10.7270/Q2TT4RHP
					More data for this Ligand-Target Pair