BDBM50024710 2-(4-Carboxymethyl-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid::CHEMBL300841::Temocaprilat

SMILES: OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1

InChI Key: InChIKey=KZVWEOXAPZXAFB-BQFCYCMXSA-N

Data: 1 KI  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 2 hits for monomerid = 50024710   

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
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50024710 (2-(4-Carboxymethyl-5-oxo-2-thiophen-2-yl-[1,4]thia...) Show SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1 Show InChI InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat				J Pharmacol Exp Ther 280: 1304-11 (1997) BindingDB Entry DOI: 10.7270/Q26M37WC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50024710 (2-(4-Carboxymethyl-5-oxo-2-thiophen-2-yl-[1,4]thia...) Show SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1 Show InChI InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate				J Med Chem 30: 1984-91 (1987) BindingDB Entry DOI: 10.7270/Q2Q52NMJ
					More data for this Ligand-Target Pair