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BDBM50235281 CHEMBL4089665

SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12

InChI Key: InChIKey=RWYIXXFPIXIFNJ-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 = 50235281   
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))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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PubMed
n/an/a>316n/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
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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PubMed
n/an/a>316n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Tested for the inhibition of HIV-2 protease


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))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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PubMed
n/an/a 4.70n/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))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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n/an/a 254n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro


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))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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Article
PubMed
n/an/a>316n/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))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H18ClN3O2/c1-28-12-17(15-4-2-3-5-19(15)28)21-22(24(30)27-23(21)29)20-16-10-13(11-26)6-7-14(16)8-9-18(20)25/h2-10,12H,11,26H2,1H3,(H,27,29,30)
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PC cid
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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from dopamine transporter


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