BDBM50286984 6-(3-Ethyl-phenyl)-4-hydroxy-3-(2-isopropyl-phenylsulfanyl)-pyran-2-one::CHEMBL12229

SMILES: CCc1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1

InChI Key: InChIKey=PWYIIZLNUOZWEQ-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 = 50286984   

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)	BDBM50286984 (6-(3-Ethyl-phenyl)-4-hydroxy-3-(2-isopropyl-phenyl...) Show SMILES CCc1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1 Show InChI InChI=1S/C22H22O3S/c1-4-15-8-7-9-16(12-15)19-13-18(23)21(22(24)25-19)26-20-11-6-5-10-17(20)14(2)3/h5-14,23H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	262	n/a	n/a	n/a	n/a	4.7	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM				Bioorg Med Chem Lett 6: 1099-1104 (1996) Article DOI: 10.1016/0960-894X(96)00180-1 BindingDB Entry DOI: 10.7270/Q2QV3MGM
					More data for this Ligand-Target Pair