Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50091617'   

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)	BDBM50091617 (4-Benzofuran-5-ylmethyl-1-[2-hydroxy-4-(2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)C1CN(Cc2ccc3occc3c2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(23-27-13-14-35-29(20-27)15-18-48-35)16-17-43(33)24-31(44)21-30(19-26-9-5-4-6-10-26)37(46)40-36-32-12-8-7-11-28(32)22-34(36)45/h4-15,18,20,30-31,33-34,36,44-45H,16-17,19,21-25H2,1-3H3,(H,40,46)(H,41,47)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair