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BDBM50418994 CHEMBL1809120

SMILES: COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

InChI Key: InChIKey=WEPVISFEMWVLFZ-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 = 50418994   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50418994
PNG
(CHEMBL1809120)
Show SMILES COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 expressed in baculovirus using [gamma-32P]-ATP by 33-P leadseeker assay


Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50418994
PNG
(CHEMBL1809120)
Show SMILES COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50418994
PNG
(CHEMBL1809120)
Show SMILES COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human flag-tagged GSK3-beta expressed in HEK-MSRII cells assessed as CRMP-2 phosphorylation by alphaLISA assay


Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair