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BDBM50235288 CHEMBL4072879

SMILES: CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1

InChI Key: InChIKey=ZMHXVAQNZDUNOG-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 = 50235288   
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))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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PubMed
n/an/a 34n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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Article
PubMed
n/an/a 0.5n/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 theta type


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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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
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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n/an/a 15n/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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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Article
PubMed
n/an/a 30n/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))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
Show InChI InChI=1S/C25H20ClN3O2/c1-27-12-14-7-8-15-9-10-19(26)21(17(15)11-14)23-22(24(30)28-25(23)31)18-13-29(2)20-6-4-3-5-16(18)20/h3-11,13,27H,12H2,1-2H3,(H,28,30,31)
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PC cid
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Article
PubMed
n/an/a 1.40n/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