new BindingDB logo
myBDB logout

BDBM50426337 CHEMBL1233659

SMILES: OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1

InChI Key: InChIKey=ZVQKIVSQCORITQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50426337   
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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation countin...


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
MMDB
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused DYRK2 expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair