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BDBM50251136 3-(3,5-diiodo-4-methoxybenzoyl)-2-propyl-4H-chromen-4-one::CHEMBL457087

SMILES: CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(OC)c(I)c1

InChI Key: InChIKey=YKEFZPVBNQHTIE-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50251136   
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))
BDBM50251136
PNG
(3-(3,5-diiodo-4-methoxybenzoyl)-2-propyl-4H-chrome...)
Show SMILES CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(OC)c(I)c1
Show InChI InChI=1S/C20H16I2O4/c1-3-6-16-17(19(24)12-7-4-5-8-15(12)26-16)18(23)11-9-13(21)20(25-2)14(22)10-11/h4-5,7-10H,3,6H2,1-2H3
PDB
MMDB

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Similars

Article
PubMed
44.3n/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)

More data for this
Ligand-Target Pair