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SMILES: O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1

InChI Key: InChIKey=BGGSTZPBQKGLOJ-UHFFFAOYSA-N

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 8 hits for monomerid = 50332091   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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n/an/a 470n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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n/an/a 77n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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US Patent
n/an/a 5.05E+3n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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US Patent
n/an/a<100n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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US Patent
n/an/a<100n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50332091
PNG
(CHEMBL1288160 | N-(4,4'-bithiazol-5-yl)-2-(isoquin...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
Show InChI InChI=1S/C17H12N4OS2/c22-15(6-11-2-1-3-12-7-18-5-4-13(11)12)21-17-16(20-10-24-17)14-8-23-9-19-14/h1-5,7-10H,6H2,(H,21,22)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant Erk2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair