Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50121506'   

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)	BDBM50121506 ((2R,3R,4R,5R)-3,4-Dihydroxy-2,5-bis-(3'-nitro-biph...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C44H52N6O12/c1-25(2)35(41(53)45-5)47-43(55)39(61-23-27-13-17-29(18-14-27)31-9-7-11-33(21-31)49(57)58)37(51)38(52)40(44(56)48-36(26(3)4)42(54)46-6)62-24-28-15-19-30(20-16-28)32-10-8-12-34(22-32)50(59)60/h7-22,25-26,35-40,51-52H,23-24H2,1-6H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	18	n/a	n/a	1.81E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121506 ((2R,3R,4R,5R)-3,4-Dihydroxy-2,5-bis-(3'-nitro-biph...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C44H52N6O12/c1-25(2)35(41(53)45-5)47-43(55)39(61-23-27-13-17-29(18-14-27)31-9-7-11-33(21-31)49(57)58)37(51)38(52)40(44(56)48-36(26(3)4)42(54)46-6)62-24-28-15-19-30(20-16-28)32-10-8-12-34(22-32)50(59)60/h7-22,25-26,35-40,51-52H,23-24H2,1-6H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.000817	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair