Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50065079'   

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)	BDBM50065079 ((4R,5S,6S,7R)-4,7-Dibenzyl-1-(4-fluoro-3-methylami...) Show SMILES CNc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)ccc1F Show InChI InChI=1S/C35H36FN5O3/c1-37-30-17-26(12-14-28(30)36)22-41-32(19-24-10-6-3-7-11-24)34(43)33(42)31(18-23-8-4-2-5-9-23)40(35(41)44)21-25-13-15-29-27(16-25)20-38-39-29/h2-17,20,31-34,37,42-43H,18-19,21-22H2,1H3,(H,38,39)/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dupont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW
					More data for this Ligand-Target Pair