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BDBM50435474 CHEMBL1885748

SMILES: Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1

InChI Key: InChIKey=JQSJAVBMIMDUFO-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50435474   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK3 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by bioluminescence assay


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 130n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin) by bioluminescence assay


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 68n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 282n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
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n/an/a 231n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435474
PNG
(CHEMBL1885748)
Show SMILES Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair