Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587,G537V,H558K,V571A]' and Ligand = 'BDBM123004'   

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,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM123004 (US8742158, EX 35) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2OCCN(C)c2c1 |r| Show InChI InChI=1S/C36H48N4O7S/c1-26(2)24-40(48(44,45)30-18-19-32-31(23-30)39(3)21-22-47-32)29(25-41)17-11-12-20-37-35(42)34(38-36(43)46-4)33(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,18-19,23,26,29,33-34,41H,11-12,17,20-22,24-25H2,1-4H3,(H,37,42)(H,38,43)/t29-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.01	n/a	n/a	n/a	n/a	n/a	n/a
TaiMed Biologies, Inc. US Patent					Assay Description This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...				US Patent US8742158 (2014) BindingDB Entry DOI: 10.7270/Q27H1H7P
					More data for this Ligand-Target Pair