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BDBM50264577 7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoindolin-1-one::CHEMBL484876

SMILES: O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12

InChI Key: InChIKey=PNTVOXMDTWOXGG-UHFFFAOYSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50264577   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
BindingDB Entry DOI: 10.7270/Q2RF5TVZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
BindingDB Entry DOI: 10.7270/Q2RF5TVZ
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50264577
PNG
(7-(5-(2-(piperidin-1-yl)ethoxy)-1H-indol-2-yl)isoi...)
Show SMILES O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
Show InChI InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 5130-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.090
BindingDB Entry DOI: 10.7270/Q2RF5TVZ
More data for this
Ligand-Target Pair