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BDBM50395890 CHEMBL2163774

SMILES: COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1

InChI Key: InChIKey=DXUVNKBICOWQOQ-UHFFFAOYSA-N

Data: 4 KI

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 = 50395890   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB
MMDB

NCI pathway
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KEGG

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UniChem
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PubMed
2.61E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB

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antibodypedia
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair