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BDBM50147465 3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione::CHEMBL111005

SMILES: OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12

InChI Key: InChIKey=KAPPJOWDTJANRE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50147465   
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))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 4.50E+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))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
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PC sid
UniChem

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Article
PubMed
n/an/a 6n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.38E+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