Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50079707'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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)	BDBM50079707 (3-(3-Ethyl-benzo[b]thiophen-2-ylsulfanyl)-4-hydrox...) Show SMILES CCc1c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)sc2ccccc12 Show InChI InChI=1S/C29H26O3S2/c1-2-22-23-15-9-10-16-25(23)33-28(22)34-26-24(30)19-29(32-27(26)31,21-13-7-4-8-14-21)18-17-20-11-5-3-6-12-20/h3-16,26H,2,17-19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	4.7	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7				Bioorg Med Chem Lett 9: 2019-24 (1999) BindingDB Entry DOI: 10.7270/Q2PZ5814
					More data for this Ligand-Target Pair