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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A' and Ligand = 'BDBM50236948'   
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))
BDBM50236948
PNG
(CHEMBL4080095)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 122n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236948
PNG
(CHEMBL4080095)
Show SMILES O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C22H15NO/c24-22(12-7-16-4-3-13-23-15-16)19-11-10-18-9-8-17-5-1-2-6-20(17)21(18)14-19/h1-15H/b12-7+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair