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BDBM50139799 2-(2,5-Dichloro-thiophene-3-sulfonylamino)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzamide::CHEMBL353413

SMILES: Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl

InChI Key: InChIKey=NVCGWLCECLMZCC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139799   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50139799
PNG
(2-(2,5-Dichloro-thiophene-3-sulfonylamino)-N-(1,3,...)
Show SMILES Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C17H16Cl2N4O3S2/c1-9-15(10(2)23(3)21-9)20-17(24)11-6-4-5-7-12(11)22-28(25,26)13-8-14(18)27-16(13)19/h4-8,22H,1-3H3,(H,20,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair