Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22663'   

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...)	BDBM22663 (JMC496646 Compound 6 | N-[(4-fluorophenyl)methyl]-...) Show SMILES Oc1c(nc[nH]c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-14-11(18)9-10(17)12(19)16-6-15-9/h1-4,6,17H,5H2,(H,14,18)(H,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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...)	BDBM22663 (JMC496646 Compound 6 | N-[(4-fluorophenyl)methyl]-...) Show SMILES Oc1c(nc[nH]c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-14-11(18)9-10(17)12(19)16-6-15-9/h1-4,6,17H,5H2,(H,14,18)(H,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair