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BDBM50393224 CHEMBL2151410

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

InChI Key: InChIKey=AQGHYUYFBXMRBC-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 = 50393224   
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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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PubMed
n/an/a 6n/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 delta type


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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PubMed
n/an/a 6.20n/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 alpha type


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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PubMed
n/an/a 9.10n/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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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n/an/a 7n/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
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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PubMed
n/an/a 17n/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, epsilon


(Homo sapiens (Human))
BDBM50393224
PNG
(CHEMBL2151410)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H21ClN6O2/c1-31-9-11-32(12-10-31)25-28-18-8-3-2-5-15(18)22(29-25)20-19(23(33)30-24(20)34)16-13-27-21-14(16)6-4-7-17(21)26/h2-8,13,27H,9-12H2,1H3,(H,30,33,34)
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PC sid
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Article
PubMed
n/an/a 19n/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