BDBM50287001 4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-nitro-phenyl)-pyran-2-one::CHEMBL12671

SMILES: CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=ZBESENVODTUUFD-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 = 50287001   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50287001 (4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-nitr...) Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H17NO5S/c1-12(2)15-5-3-4-6-18(15)27-19-16(22)11-17(26-20(19)23)13-7-9-14(10-8-13)21(24)25/h3-12,22H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	191	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