Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22621'   

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...)	BDBM22621 (N-Me-pyrimidone deriv., 20 | N-[(4-fluorophenyl)me...) Show SMILES CN1C[C@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)NS(C)(=O)=O |r| Show InChI InChI=1S/C19H24FN5O5S/c1-24-10-13(23-31(3,29)30)8-14(24)17-22-15(16(26)19(28)25(17)2)18(27)21-9-11-4-6-12(20)7-5-11/h4-7,13-14,23,26H,8-10H2,1-3H3,(H,21,27)/t13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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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