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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A' and Ligand = 'BDBM50213744'   
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 1A


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
PDB
MMDB

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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair