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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50517935'   
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))		BDBM50517935
PNG
(CHEMBL4526434)
Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)|
Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 3.40E+4n/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ...

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
More data for this
Ligand-Target Pair