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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 = 'BDBM50527650'   
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))		BDBM50527650
PNG
(CHEMBL4438144)
Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H15FN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)
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MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<55n/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