BindingDB logo
myBDB logout

null

SMILES: COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

InChI Key: InChIKey=UEZWIGHGLPNICR-UHFFFAOYSA-N

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 6 hits for monomerid = 50389085   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35 by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50389085
PNG
(CHEMBL2064520)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AurKA by FRET assay


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair