Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282583'   

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)	BDBM50282583 ((4S,6S)-1,3,4,6-Tetrabenzyl-5-hydroxy-tetrahydro-p...) Show SMILES OC1[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 Show InChI InChI=1S/C32H32N2O2/c35-31-29(21-25-13-5-1-6-14-25)33(23-27-17-9-3-10-18-27)32(36)34(24-28-19-11-4-12-20-28)30(31)22-26-15-7-2-8-16-26/h1-20,29-31,35H,21-24H2/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was determined against HIV-1 protease				Bioorg Med Chem Lett 4: 1247-1252 (1994) Article DOI: 10.1016/S0960-894X(01)80339-5 BindingDB Entry DOI: 10.7270/Q2MS3SQ6
					More data for this Ligand-Target Pair