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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Ligand = 'BDBM50390434'   
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 1A1


(Homo sapiens (Human))		BDBM50390434
PNG
(CHEMBL2071349)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(SC)cc2)c1
Show InChI InChI=1S/C17H18O2S/c1-18-15-10-14(11-16(12-15)19-2)5-4-13-6-8-17(20-3)9-7-13/h4-12H,1-3H3/b5-4+
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Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Poznan University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay

Bioorg Med Chem 20: 5117-26 (2012)


Article DOI: 10.1016/j.bmc.2012.07.012
BindingDB Entry DOI: 10.7270/Q251408M
More data for this
Ligand-Target Pair