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BDBM50408933 CHEMBL2115265

SMILES: CC[C@@H](c1ccccc1)c1c(OC)oc2ccccc2c1=O

InChI Key: InChIKey=SUISXDGOTOGLMY-AWEZNQCLSA-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 = 50408933   
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))
BDBM50408933
PNG
(CHEMBL2115265)
Show SMILES CC[C@@H](c1ccccc1)c1c(OC)oc2ccccc2c1=O |r|
Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(20)15-11-7-8-12-16(15)22-19(17)21-2/h4-12,14H,3H2,1-2H3/t14-/m0/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
100n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 2C9


J Med Chem 43: 2789-96 (2000)


BindingDB Entry DOI: 10.7270/Q2K64H9Q
More data for this
Ligand-Target Pair