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SMILES: CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1

InChI Key:

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 11 hits for monomerid = 50235282   
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))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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0.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]dopamine uptake


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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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n/an/a 214n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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B.MOAD
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PC cid
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UniChem
Article
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n/an/a 263n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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PC sid
UniChem
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n/an/a 402n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit porcine pancreas phospholipase-A2


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


Article DOI: 10.1016/j.bmcl.2017.01.038
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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PC sid
UniChem
Article
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n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
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KEGG

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PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 402n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 565n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to renin


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


Article DOI: 10.1016/j.bmcl.2017.01.038
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus (rat))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 296n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




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


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