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BDBM50139807 (2S,4S)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-5-one::CHEMBL354260

SMILES: CO[C@]1(C)C[C@@H](C2C(O1)c1ccccc1OC2=O)c1ccccc1

InChI Key: InChIKey=AEOODTLWMHKEOP-GIESBBMHSA-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 = 50139807   
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))
BDBM50139807
PNG
((2S,4S)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...)
Show SMILES CO[C@]1(C)C[C@@H](C2C(O1)c1ccccc1OC2=O)c1ccccc1
Show InChI InChI=1S/C20H20O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15,17-18H,12H2,1-2H3/t15-,17?,18?,20+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.60E+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