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BDBM50347796 CHEMBL1802963

SMILES: Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12

InChI Key: InChIKey=VHKRTWNLRWRPSB-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 = 50347796   
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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
PDB
MMDB

Reactome pathway
KEGG

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in baculovirus expression system using Alexa-Fluor tracer-236 incubated for 6...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 2.25E+4n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged GSK3B recombinant in baculovirus expression system using Alexa-Fluor tracer-236 incubated for ...


Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
BindingDB Entry DOI: 10.7270/Q2SN0CFP
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair