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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Ligand = 'BDBM50027799'   
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


(Rattus norvegicus)
BDBM50027799
PNG
(CHEMBL1908215 | N-(2-Pnitrophenethyl) Dichloro Ace...)
Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)C(Cl)Cl)cc1
Show InChI InChI=1S/C10H10Cl2N2O3/c11-9(12)10(15)13-6-5-7-1-3-8(4-2-7)14(16)17/h1-4,9H,5-6H2,(H,13,15)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by ethoxyresorufin O-deethylation warfarin R-6 and R-8 hydroxylation


Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair