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BDBM50263829 3-(2,4,6-Trimethoxybenzylidene)indolin-2-one::3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE::3-[(2,4,6-trimethoxyphenyl)methylidenyl]-indolin-2-one::CHEMBL489156

SMILES: COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1

InChI Key: InChIKey=JBJYTZXCZDNOJW-JLHYYAGUSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50263829   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of human CK1delta


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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n/an/a 2.57E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CK1delta expressed in simian genome expressing mouse 3T3 cells


Bioorg Med Chem Lett 20: 2958-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.110
BindingDB Entry DOI: 10.7270/Q2Z89CKN
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human CK1delta using casein as substrate in presence of [gamma-32P]-ATP


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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KEGG

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



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human CK1epsilon using casein as substrate in presence of [gamma-32P]-ATP


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
PDB

NCI pathway
Reactome pathway
KEGG

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair