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BDBM50136910 3'-Trifluoromethyl-biphenyl-3-sulfonic acid (7-isobutylamino-3-methyl-1H-indazol-5-yl)-amide::CHEMBL157262

SMILES: CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12

InChI Key: InChIKey=MCDQHDQMKUTBQE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50136910   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))		BDBM50136910
PNG
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12
Show InChI InChI=1S/C25H25F3N4O2S/c1-15(2)14-29-23-13-20(12-22-16(3)30-31-24(22)23)32-35(33,34)21-9-5-7-18(11-21)17-6-4-8-19(10-17)25(26,27)28/h4-13,15,29,32H,14H2,1-3H3,(H,30,31)
PDB
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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair