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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 = 'BDBM50027782'   
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


(Rattus norvegicus)		BDBM50027782
PNG
(3-Ethynyl Phenanthrene | CHEMBL1908226)
Show SMILES C#Cc1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C16H10/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h1,3-11H
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PC sid
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Similars
PubMed
 90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)

Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair