Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50403188'   

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)	BDBM50403188 (CHEMBL277272) Show SMILES CC(C)CC(NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C25H24F5N3O3/c1-12(2)9-17(32-13(3)34)25(36)33-16(10-14-7-5-4-6-8-14)24(35)15(11-31)18-19(26)21(28)23(30)22(29)20(18)27/h4-8,12,15-17H,9-10H2,1-3H3,(H,32,34)(H,33,36)/t15?,16-,17?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibitory constant against HIV-1 protease was determined				Bioorg Med Chem Lett 3: 1169-1174 (1993) Article DOI: 10.1016/S0960-894X(00)80308-X BindingDB Entry DOI: 10.7270/Q2GB23ZZ
					More data for this Ligand-Target Pair