BDBM50101465 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-6-[2-(5-methyl-thiazol-4-yl)-ethyl]-5,6-dihydro-pyran-2-one::CHEMBL78209

SMILES: CC(C)C1(CCc2ncsc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=FCYXWYAKZLXFEZ-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 = 50101465   

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)	BDBM50101465 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ncsc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H35NO4S2/c1-15(2)26(9-8-20-17(4)32-14-27-20)12-21(29)23(24(30)31-26)33-22-10-16(3)18(13-28)11-19(22)25(5,6)7/h10-11,14-15,23,28H,8-9,12-13H2,1-7H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair