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Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Ligand = 'BDBM50507598'   
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))		BDBM50507598
PNG
(CHEMBL4539787)
Show SMILES COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12
Show InChI InChI=1S/C21H16FNO3/c1-25-18-5-3-4-14-19(26-2)10-15-17(24)11-16(23-21(15)20(14)18)12-6-8-13(22)9-7-12/h3-11H,1-2H3,(H,23,24)
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n/an/a 11n/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay

Eur J Med Chem 163: 28-36 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.039
BindingDB Entry DOI: 10.7270/Q2930XFF
More data for this
Ligand-Target Pair