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BDBM50132420 3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indolin-2-one::5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one::CHEMBL2397013::CHEMBL323994

SMILES: O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1

InChI Key: InChIKey=IQNTXIMXKCURDC-YBEGLDIGSA-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 = 50132420   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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PubMed
n/an/a 27n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 23: 3690-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.086
BindingDB Entry DOI: 10.7270/Q27P90SD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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n/an/a 600n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
PDB

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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 16: 5633-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.022
BindingDB Entry DOI: 10.7270/Q2J1040K
More data for this
Ligand-Target Pair