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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 = 'BDBM50234038'   
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))
BDBM50234038
PNG
(CHEMBL4097275)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+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