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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 = 'BDBM50527651'   
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


(Homo sapiens (Human))		BDBM50527651
PNG
(CHEMBL4581829)
Show SMILES N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
Show InChI InChI=1S/C23H15N9/c24-11-15-1-4-18(25-12-15)14-31-22(7-8-27-31)16-3-6-20-23(9-16)32(30-29-20)19-5-2-17-13-26-28-21(17)10-19/h1-10,12-13H,14H2,(H,26,28)
PDB
MMDB

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n/an/a 300n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis

J Med Chem 63: 3935-3955 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01713
BindingDB Entry DOI: 10.7270/Q2G1648T
More data for this
Ligand-Target Pair