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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50317425'   
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 2C9


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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MMDB

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 min...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair