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BDBM50393214 CHEMBL2151411

SMILES: CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1

InChI Key: InChIKey=FANQQVWXAKUWNI-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 = 50393214   
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 delta type


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta-1 by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCeta by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50393214
PNG
(CHEMBL2151411)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C26H24N6O2/c1-15-6-5-8-16-18(14-27-22(15)16)20-21(25(34)30-24(20)33)23-17-7-3-4-9-19(17)28-26(29-23)32-12-10-31(2)11-13-32/h3-9,14,27H,10-13H2,1-2H3,(H,30,33,34)
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PC sid
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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta by scintillation proximity assay


J Med Chem 54: 6028-39 (2011)


Article DOI: 10.1021/jm200469u
BindingDB Entry DOI: 10.7270/Q2K35VR1
More data for this
Ligand-Target Pair