BindingDB logo
myBDB logout

BDBM50105912 CHEMBL3133762

SMILES: Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12

InChI Key: InChIKey=PTQHCVXFSMUUIH-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 = 50105912   
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-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk3 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk2 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50105912
PNG
(CHEMBL3133762)
Show SMILES Nc1nccc(n1)-c1cn(C(=O)N2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C17H16BrN5O2/c18-11-1-2-15-12(9-11)13(14-3-4-20-16(19)21-14)10-23(15)17(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair