Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]' and Ligand = 'BDBM9202'   

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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9202 ((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-[(3,4,5-...) Show SMILES COc1cc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc(OC)c1OC |r| Show InChI InChI=1S/C41H47N3O7/c1-49-36-20-29(21-37(50-2)39(36)51-3)24-43-25-32(19-28-14-8-5-9-15-28)44(41(43)48)26-33(45)22-31(18-27-12-6-4-7-13-27)40(47)42-38-34-17-11-10-16-30(34)23-35(38)46/h4-17,20-21,31-33,35,38,45-46H,18-19,22-26H2,1-3H3,(H,42,47)/t31-,32+,33+,35-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5685-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.038 BindingDB Entry DOI: 10.7270/Q25Q4T9W
					More data for this Ligand-Target Pair