Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]' and Ligand = 'BDBM5110'   

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 [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM5110 (3-nitro-N-[(2Z)-3,4,5-trimethyl-2,3-dihydro-1,3-th...) Show SMILES Cc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C Show InChI InChI=1S/C12H13N3O4S2/c1-8-9(2)20-12(14(8)3)13-21(18,19)11-6-4-5-10(7-11)15(16)17/h4-7H,1-3H3/b13-12-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	8.4	37
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
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