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BDBM50235285 CHEMBL4101316

SMILES: COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1

InChI Key: InChIKey=LPIHDMXDUPXXEU-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50235285   
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
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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n/an/a 2.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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PubMed
n/an/a 206n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCeta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
Show InChI InChI=1S/C27H24ClN3O3/c1-31-15-20(18-5-3-4-6-22(18)31)24-25(27(33)30-26(24)32)23-19-13-16(14-29-11-12-34-2)7-8-17(19)9-10-21(23)28/h3-10,13,15,29H,11-12,14H2,1-2H3,(H,30,32,33)
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Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta1 (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair