Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine 5'-phosphosulfate reductase' and Ligand = 'BDBM25464'   

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)	BDBM25464 (6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-9H-...) Show SMILES Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1 Show InChI InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.52E+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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