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BDBM50147462 3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione::CHEMBL109834

SMILES: CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12

InChI Key: InChIKey=PFGKNOJIVKFCCZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50147462   
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 alpha type


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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Article
PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair