Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50029526'   

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)	BDBM50029526 (CHEMBL342947 | [(S)-1-{3-[Cyclopropyl-(4-hydroxy-2...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C32H40N4O6/c1-32(2,3)42-31(40)36-24(16-22-17-33-18-34-22)29(38)35-21-10-8-9-20(15-21)26(19-13-14-19)27-28(37)23-11-6-4-5-7-12-25(23)41-30(27)39/h8-10,15,17-19,24,26,37H,4-7,11-14,16H2,1-3H3,(H,33,34)(H,35,38)(H,36,40)/t24-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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)	BDBM50029526 (CHEMBL342947 | [(S)-1-{3-[Cyclopropyl-(4-hydroxy-2...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C32H40N4O6/c1-32(2,3)42-31(40)36-24(16-22-17-33-18-34-22)29(38)35-21-10-8-9-20(15-21)26(19-13-14-19)27-28(37)23-11-6-4-5-7-12-25(23)41-30(27)39/h8-10,15,17-19,24,26,37H,4-7,11-14,16H2,1-3H3,(H,33,34)(H,35,38)(H,36,40)/t24-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Antiviral activity against HIV-I infected H9 cells				J Med Chem 38: 4463-73 (1995) BindingDB Entry DOI: 10.7270/Q2MP529V
					More data for this Ligand-Target Pair