Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50281880'   

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)	BDBM50281880 (2-Acetylamino-4-methyl-pentanoic acid [(E)-(S)-1-b...) Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H27N4O5/c1-16(2)13-23(27-17(3)30)25(32)28-22(14-18-7-5-4-6-8-18)24(31)21(15-26)19-9-11-20(12-10-19)29(33)34/h4-12,16,22-23H,13-14H2,1-3H3,(H,27,30)(H,28,32)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.00E+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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281880 (2-Acetylamino-4-methyl-pentanoic acid [(E)-(S)-1-b...) Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)C(=[OH+])C(=C=[N-])c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H27N4O5/c1-16(2)13-23(27-17(3)30)25(32)28-22(14-18-7-5-4-6-8-18)24(31)21(15-26)19-9-11-20(12-10-19)29(33)34/h4-12,16,22-23H,13-14H2,1-3H3,(H,27,30)(H,28,32)/q-1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 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