Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50029522'   

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)	BDBM50029522 (4-Hydroxy-3-(1-phenyl-propyl)-6,7,8,9,10,11-hexahy...) Show SMILES CCC(c1ccccc1)c1c(O)c2CCCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-2-16(15-11-7-6-8-12-15)19-20(22)17-13-9-4-3-5-10-14-18(17)24-21(19)23/h6-8,11-12,16,22H,2-5,9-10,13-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV-I protease.				J Med Chem 38: 4463-73 (1995) BindingDB Entry DOI: 10.7270/Q2MP529V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50029522 (4-Hydroxy-3-(1-phenyl-propyl)-6,7,8,9,10,11-hexahy...) Show SMILES CCC(c1ccccc1)c1c(O)c2CCCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-2-16(15-11-7-6-8-12-15)19-20(22)17-13-9-4-3-5-10-14-18(17)24-21(19)23/h6-8,11-12,16,22H,2-5,9-10,13-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound towards HIV protease was determined				J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB
					More data for this Ligand-Target Pair