BindingDB logo
myBDB logout

BDBM50400746 CHEMBL2203558

SMILES: COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

InChI Key: InChIKey=RSGFGKYUTXQOFV-UHFFFAOYSA-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 = 50400746   
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
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.86E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50400746
PNG
(CHEMBL2203558)
Show SMILES COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O3/c1-24-15-10-20-18(25-11-5-3-2-4-6-11)22-16(15)14-9-12-13(21-14)7-8-19-17(12)23/h2-6,9-10,21H,7-8H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 853n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair