Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine 5'-phosphosulfate reductase' and Ligand = 'BDBM25466'   

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
Adenosine 5'-phosphosulfate reductase (Mycobacterium tuberculosis)	BDBM25466 (N-(3-nitro-9-oxo-9H-fluoren-2-yl)acetamide | NSC60...) Show SMILES CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O Show InChI InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.18E+4	n/a	n/a	n/a	7.5	30
The Scripps Research Institute					Assay Description Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...				J Med Chem 51: 6627-30 (2008) Article DOI: 10.1021/jm800571m BindingDB Entry DOI: 10.7270/Q2PK0DFG
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