Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM1111'   

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)	BDBM1111 ((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...) Show SMILES Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H34N6O4/c36-33-26-17-24(12-15-30(26)44-38-33)20-40-28(14-11-22-7-3-1-4-8-22)32(42)29(19-23-9-5-2-6-10-23)41(35(40)43)21-25-13-16-31-27(18-25)34(37)39-45-31/h1-10,12-13,15-18,28-29,32,42H,11,14,19-21H2,(H2,36,38)(H2,37,39)/t28-,29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1111 ((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...) Show SMILES Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H34N6O4/c36-33-26-17-24(12-15-30(26)44-38-33)20-40-28(14-11-22-7-3-1-4-8-22)32(42)29(19-23-9-5-2-6-10-23)41(35(40)43)21-25-13-16-31-27(18-25)34(37)39-45-31/h1-10,12-13,15-18,28-29,32,42H,11,14,19-21H2,(H2,36,38)(H2,37,39)/t28-,29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company					Assay Description Inhibition constant of HIV protease inhibitors				J Med Chem 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1111 ((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...) Show SMILES Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H34N6O4/c36-33-26-17-24(12-15-30(26)44-38-33)20-40-28(14-11-22-7-3-1-4-8-22)32(42)29(19-23-9-5-2-6-10-23)41(35(40)43)21-25-13-16-31-27(18-25)34(37)39-45-31/h1-10,12-13,15-18,28-29,32,42H,11,14,19-21H2,(H2,36,38)(H2,37,39)/t28-,29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibitory activity of compound against HIV-1 aspartyl protease.				Bioorg Med Chem Lett 12: 3453-7 (2002) BindingDB Entry DOI: 10.7270/Q2B27WG3
					More data for this Ligand-Target Pair