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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 = 'BDBM50234039'   
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))
BDBM50234039
PNG
(CHEMBL4082553 | US9765018, Example 115)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1
Show InChI InChI=1S/C32H30N2O5/c1-20-8-3-6-12-26(20)33-32(37)34-27-19-23(22-14-16-28(38-2)25(18-22)31(35)36)15-17-30(27)39-29-13-7-10-21-9-4-5-11-24(21)29/h3,6-8,10,12-19H,4-5,9,11H2,1-2H3,(H,35,36)(H2,33,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair