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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 = 50131054   
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))
BDBM50131054
PNG
(1,2-Dimethoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyr...)
Show SMILES COc1ccc2c(nc3-c4[nH]c5ccccc5c4CCn3c2=O)c1OC
Show InChI InChI=1S/C20H17N3O3/c1-25-15-8-7-13-16(18(15)26-2)22-19-17-12(9-10-23(19)20(13)24)11-5-3-4-6-14(11)21-17/h3-8,21H,9-10H2,1-2H3
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Similars

Article
PubMed
n/an/a 970n/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