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PubMed code 26544629

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50499812
PNG
(CHEMBL3597017)
Show SMILES CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C15H17NO2/c1-10(2)8-12-9-13(17)14(15(18)16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Eur J Med Chem 106: 144-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.008
BindingDB Entry DOI: 10.7270/Q28P63JP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50499812
PNG
(CHEMBL3597017)
Show SMILES CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C15H17NO2/c1-10(2)8-12-9-13(17)14(15(18)16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 106: 144-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.008
BindingDB Entry DOI: 10.7270/Q28P63JP
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50499812
PNG
(CHEMBL3597017)
Show SMILES CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C15H17NO2/c1-10(2)8-12-9-13(17)14(15(18)16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Eur J Med Chem 106: 144-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.008
BindingDB Entry DOI: 10.7270/Q28P63JP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%