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BDBM50204659 CHEMBL3923825

SMILES: NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1

InChI Key: InChIKey=LTBLHTBAQGVTGV-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 = 50204659   
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))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
PDB
MMDB

Reactome pathway
KEGG

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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
PDB

Reactome pathway
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antibodypedia
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PC cid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair