Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22618'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22618 (N-Me-pyrimidone deriv., 17 | N-[(4-fluorophenyl)me...) Show SMILES CO[C@@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r| Show InChI InChI=1S/C19H23FN4O4/c1-23-10-13(28-3)8-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-9-11-4-6-12(20)7-5-11/h4-7,13-14,25H,8-10H2,1-3H3,(H,21,26)/t13-,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
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