BDBM50004597 (4-Ethylcarbamoyl-5,5-dimethyl-thiazolidin-2-yl)-phenylacetylamino-acetic acid methyl ester::CHEMBL321096

SMILES: CCNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)OC

InChI Key: InChIKey=JHFOAZUXVZONIT-YQQAZPJKSA-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 = 50004597   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004597 ((4-Ethylcarbamoyl-5,5-dimethyl-thiazolidin-2-yl)-p...) Show SMILES CCNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C19H27N3O4S/c1-5-20-16(24)15-19(2,3)27-17(22-15)14(18(25)26-4)21-13(23)11-12-9-7-6-8-10-12/h6-10,14-15,17,22H,5,11H2,1-4H3,(H,20,24)(H,21,23)/t14-,15-,17+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Limited Curated by ChEMBL					Assay Description Inhibitory activity towards HIV-1 protease				J Med Chem 35: 3080-1 (1992) BindingDB Entry DOI: 10.7270/Q27H1HJQ
					More data for this Ligand-Target Pair