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BDBM50136906 4-Chloro-N-[3-chloro-7-(3-methyl-but-2-enylamino)-1H-indazol-5-yl]-benzenesulfonamide::CHEMBL356233

SMILES: CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12

InChI Key: InChIKey=VXHQUMOJXJDXOX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50136906   
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))		BDBM50136906
PNG
(4-Chloro-N-[3-chloro-7-(3-methyl-but-2-enylamino)-...)
Show SMILES CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 |(1.06,-.29,;2.39,.47,;2.39,2.01,;3.72,-.29,;5.05,.48,;6.39,-.29,;6.4,-1.83,;5.07,-2.6,;5.07,-4.15,;3.74,-4.92,;3.74,-6.46,;2.2,-6.46,;5.28,-6.46,;3.74,-8,;2.41,-8.77,;2.41,-10.31,;3.74,-11.08,;3.74,-12.62,;5.09,-10.31,;5.09,-8.77,;6.4,-4.91,;7.75,-4.14,;9.2,-4.6,;9.97,-5.93,;10.11,-3.37,;9.2,-2.11,;7.75,-2.6,)|
Show InChI InChI=1S/C18H18Cl2N4O2S/c1-11(2)7-8-21-16-10-13(9-15-17(16)22-23-18(15)20)24-27(25,26)14-5-3-12(19)4-6-14/h3-7,9-10,21,24H,8H2,1-2H3,(H,22,23)
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MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.20E+3n/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