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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Monomerid = 50131044   
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))
BDBM50131044
PNG
(13H-Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one...)
Show SMILES O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12
Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,20H
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450s


Bioorg Med Chem Lett 13: 2535-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00469-4
BindingDB Entry DOI: 10.7270/Q2805341
More data for this
Ligand-Target Pair