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BDBM50408940 CHEMBL2115268

SMILES: C[C@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O

InChI Key: InChIKey=ZUJMMGHIYSAEOU-WFASDCNBSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408940   
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))
BDBM50408940
PNG
(CHEMBL2115268)
Show SMILES C[C@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
3.00E+3n/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