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BDBM50348621 CHEMBL1270795

SMILES: CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1

InChI Key: InChIKey=FTFDOZLQPLTYBX-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 50348621   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 187n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens)
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Camk4


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cdk2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1d


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKKb


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 167n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Jak2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 468n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cMet


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 785n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens)
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50348621
PNG
(CHEMBL1270795)
Show SMILES CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCa


Bioorg Med Chem Lett 20: 5170-4 (2010)

More data for this
Ligand-Target Pair