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BDBM50268982 1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one::CHEMBL498220

SMILES: Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1ccccc1=O

InChI Key: InChIKey=UFWOHRJEMMPVKU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50268982   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50268982
PNG
(1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylim...)
Show SMILES Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate


Bioorg Med Chem Lett 19: 3602-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.127
BindingDB Entry DOI: 10.7270/Q2RX9BZV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50268982
PNG
(1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylim...)
Show SMILES Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate


Bioorg Med Chem Lett 19: 3602-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.127
BindingDB Entry DOI: 10.7270/Q2RX9BZV
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50268982
PNG
(1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylim...)
Show SMILES Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1ccccc1=O
Show InChI InChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 3602-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.127
BindingDB Entry DOI: 10.7270/Q2RX9BZV
More data for this
Ligand-Target Pair