Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50054162'   

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)	BDBM50054162 (3,5-dichloro-2-{3-[4,7-dibenzyl-3-[3-(3,5-dichloro...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C45H38Cl4N6O5/c46-33-21-35(48)41(50-23-33)52-43(58)31-15-7-13-29(17-31)25-54-37(19-27-9-3-1-4-10-27)39(56)40(57)38(20-28-11-5-2-6-12-28)55(45(54)60)26-30-14-8-16-32(18-30)44(59)53-42-36(49)22-34(47)24-51-42/h1-18,21-24,37-40,56-57H,19-20,25-26H2,(H,50,52,58)(H,51,53,59)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity for HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054162 (3,5-dichloro-2-{3-[4,7-dibenzyl-3-[3-(3,5-dichloro...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C45H38Cl4N6O5/c46-33-21-35(48)41(50-23-33)52-43(58)31-15-7-13-29(17-31)25-54-37(19-27-9-3-1-4-10-27)39(56)40(57)38(20-28-11-5-2-6-12-28)55(45(54)60)26-30-14-8-16-32(18-30)44(59)53-42-36(49)22-34(47)24-51-42/h1-18,21-24,37-40,56-57H,19-20,25-26H2,(H,50,52,58)(H,51,53,59)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054162 (3,5-dichloro-2-{3-[4,7-dibenzyl-3-[3-(3,5-dichloro...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc(Cl)cc2Cl)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C45H38Cl4N6O5/c46-33-21-35(48)41(50-23-33)52-43(58)31-15-7-13-29(17-31)25-54-37(19-27-9-3-1-4-10-27)39(56)40(57)38(20-28-11-5-2-6-12-28)55(45(54)60)26-30-14-8-16-32(18-30)44(59)53-42-36(49)22-34(47)24-51-42/h1-18,21-24,37-40,56-57H,19-20,25-26H2,(H,50,52,58)(H,51,53,59)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair