Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22609'   

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...)	BDBM22609 (JMC496646 Compound 14 | N-[(4-fluorophenyl)methyl]...) Show SMILES CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 49: 6646-9 (2006) Article DOI: 10.1021/jm060854f BindingDB Entry DOI: 10.7270/Q23F4MX3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22609 (JMC496646 Compound 14 | N-[(4-fluorophenyl)methyl]...) Show SMILES CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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
					More data for this Ligand-Target Pair