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BDBM50139801 4-Hydroxy-3-((S)-3-oxo-1-phenyl-butyl)-chroman-2-one::CHEMBL171602

SMILES: CC(=O)C[C@@H](C1C(O)c2ccccc2OC1=O)c1ccccc1

InChI Key: InChIKey=YGBVHFMFHBRKQV-FAEJEUNOSA-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 = 50139801   
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))
BDBM50139801
PNG
(4-Hydroxy-3-((S)-3-oxo-1-phenyl-butyl)-chroman-2-o...)
Show SMILES CC(=O)C[C@@H](C1C(O)c2ccccc2OC1=O)c1ccccc1
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/h2-10,15,17-18,21H,11H2,1H3/t15-,17?,18?/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.36E+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