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BDBM50147466 3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione::CHEMBL110000

SMILES: CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12

InChI Key: InChIKey=ZBUHFSOGWXBHEF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50147466   
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))
BDBM50147466
PNG
(3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-...)
Show SMILES CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12 |t:5|
Show InChI InChI=1S/C23H21N5O3/c1-2-27-12-16(14-6-3-8-24-20(14)27)18-19(23(31)26-22(18)30)17-13-28(10-5-11-29)21-15(17)7-4-9-25-21/h3-4,6-9,12-13,29H,2,5,10-11H2,1H3,(H,26,30,31)
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MMDB

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Similars

Article
PubMed
n/an/a 1.07E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147466
PNG
(3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-...)
Show SMILES CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12 |t:5|
Show InChI InChI=1S/C23H21N5O3/c1-2-27-12-16(14-6-3-8-24-20(14)27)18-19(23(31)26-22(18)30)17-13-28(10-5-11-29)21-15(17)7-4-9-25-21/h3-4,6-9,12-13,29H,2,5,10-11H2,1H3,(H,26,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 65n/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