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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50088435'   
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 1A2


(Rattus norvegicus)		BDBM50088435
PNG
(CHEMBL3274190)
Show SMILES [Na+].CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
Show InChI InChI=1S/C20H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/q;+1/p-1/b7-6-,10-9-,13-12-,16-15-;
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Article
PubMed
 4.70E+3n/an/an/an/an/an/an/an/a



Khon Kaen University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis

Drug Metab Dispos 40: 982-9 (2012)


Article DOI: 10.1124/dmd.111.044057
BindingDB Entry DOI: 10.7270/Q2MS3VGW
More data for this
Ligand-Target Pair