Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50109710'   

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)	BDBM50109710 ((S)-4-(2-Dimethylamino-quinoline-7-sulfonyl)-1-[(2...) Show SMILES CN(C)c1ccc2ccc(cc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C41H52N6O6S/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-17-15-28-16-18-37(45(4)5)42-34(28)24-32)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-29(33)23-36(38)49/h6-18,24,30-31,35-36,38,48-49H,19-23,25-26H2,1-5H3,(H,43,50)(H,44,51)/t30-,31+,35+,36-,38?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109710 ((S)-4-(2-Dimethylamino-quinoline-7-sulfonyl)-1-[(2...) Show SMILES CN(C)c1ccc2ccc(cc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C41H52N6O6S/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-17-15-28-16-18-37(45(4)5)42-34(28)24-32)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-29(33)23-36(38)49/h6-18,24,30-31,35-36,38,48-49H,19-23,25-26H2,1-5H3,(H,43,50)(H,44,51)/t30-,31+,35+,36-,38?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair