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BDBM50139809 2-Amino-6-chloro-3-(2,4-dichloro-phenoxy)-benzenesulfonic acid::CHEMBL171828

SMILES: Nc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1S(O)(=O)=O

InChI Key: InChIKey=MBGCVMRGYAYUQK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139809   
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))
BDBM50139809
PNG
(2-Amino-6-chloro-3-(2,4-dichloro-phenoxy)-benzenes...)
Show SMILES Nc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1S(O)(=O)=O
Show InChI InChI=1S/C12H8Cl3NO4S/c13-6-1-3-9(8(15)5-6)20-10-4-2-7(14)12(11(10)16)21(17,18)19/h1-5H,16H2,(H,17,18,19)
PDB
MMDB

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PubMed
2.00E+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