BDBM50020826 CHEMBL112630::{Cyclopentyl-[2-(2,2-dimethyl-propionylsulfanyl)-benzoyl]-amino}-acetic acid

SMILES: CC(C)(C)C(=O)Sc1ccccc1C(=O)N(CC(O)=O)C1CCCC1

InChI Key: InChIKey=CJQXQBCAPHJCBZ-UHFFFAOYSA-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 = 50020826   

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)	BDBM50020826 (CHEMBL112630 | {Cyclopentyl-[2-(2,2-dimethyl-propi...) Show SMILES CC(C)(C)C(=O)Sc1ccccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C19H25NO4S/c1-19(2,3)18(24)25-15-11-7-6-10-14(15)17(23)20(12-16(21)22)13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	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: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair