Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50054166'   

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)	BDBM50054166 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(4-methyl-2-...) Show SMILES Cc1ccnc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4nccc(C)n4)C3=O)c2)n1 Show InChI InChI=1S/C45H44N8O5/c1-29-19-21-46-43(48-29)50-41(56)35-17-9-15-33(23-35)27-52-37(25-31-11-5-3-6-12-31)39(54)40(55)38(26-32-13-7-4-8-14-32)53(45(52)58)28-34-16-10-18-36(24-34)42(57)51-44-47-22-20-30(2)49-44/h3-24,37-40,54-55H,25-28H2,1-2H3,(H,46,48,50,56)(H,47,49,51,57)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.115	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054166 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(4-methyl-2-...) Show SMILES Cc1ccnc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4nccc(C)n4)C3=O)c2)n1 Show InChI InChI=1S/C45H44N8O5/c1-29-19-21-46-43(48-29)50-41(56)35-17-9-15-33(23-35)27-52-37(25-31-11-5-3-6-12-31)39(54)40(55)38(26-32-13-7-4-8-14-32)53(45(52)58)28-34-16-10-18-36(24-34)42(57)51-44-47-22-20-30(2)49-44/h3-24,37-40,54-55H,25-28H2,1-2H3,(H,46,48,50,56)(H,47,49,51,57)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.115	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)	BDBM50054166 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(4-methyl-2-...) Show SMILES Cc1ccnc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4nccc(C)n4)C3=O)c2)n1 Show InChI InChI=1S/C45H44N8O5/c1-29-19-21-46-43(48-29)50-41(56)35-17-9-15-33(23-35)27-52-37(25-31-11-5-3-6-12-31)39(54)40(55)38(26-32-13-7-4-8-14-32)53(45(52)58)28-34-16-10-18-36(24-34)42(57)51-44-47-22-20-30(2)49-44/h3-24,37-40,54-55H,25-28H2,1-2H3,(H,46,48,50,56)(H,47,49,51,57)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	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