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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50251020'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50251020
PNG
(3-(4-hydroxy-3,5-diiodobenzoyl)-2-methyl-4H-chrome...)
Show SMILES Cc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C17H10I2O4/c1-8-14(16(21)10-4-2-3-5-13(10)23-8)15(20)9-6-11(18)17(22)12(19)7-9/h2-7,22H,1H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
41n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity to CYP2C9 (unknown origin)


Bioorg Med Chem 16: 4064-74 (2008)


Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D
More data for this
Ligand-Target Pair