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PubMed code 21128646

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a<1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335179
PNG
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335189
PNG
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[(3,3,4,4-tetraf...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)(F)C(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H16F4N8S/c1-10-6-30-13(11-3-24-25-4-11)5-23-16(30)15(26-10)27-14-2-12(28-31-14)7-29-8-17(19,20)18(21,22)9-29/h2-6H,7-9H2,1H3,(H,24,25)(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335193
PNG
(6-Methyl-N-[3-[[(2,2,3,3,3-pentafluoropropyl)amino...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CNCC(F)(F)C(F)(F)F)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15F5N8S/c1-9-7-30-12(10-3-25-26-4-10)6-24-15(30)14(27-9)28-13-2-11(29-31-13)5-23-8-16(18,19)17(20,21)22/h2-4,6-7,23H,5,8H2,1H3,(H,25,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335192
PNG
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[(3,3,3-trifluo...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CNCCC(F)(F)F)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H17F3N8S/c1-10-9-28-13(11-5-23-24-6-11)8-22-16(28)15(25-10)26-14-4-12(27-29-14)7-21-3-2-17(18,19)20/h4-6,8-9,21H,2-3,7H2,1H3,(H,23,24)(H,25,26)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335181
PNG
(CHEMBL1650538 | N-[3-[(4,4-Difluoro-1-piperidinyl)...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)CC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H20F2N8S/c1-12-10-29-15(13-7-23-24-8-13)9-22-18(29)17(25-12)26-16-6-14(27-30-16)11-28-4-2-19(20,21)3-5-28/h6-10H,2-5,11H2,1H3,(H,23,24)(H,25,26)
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335191
PNG
(CHEMBL1650548 | N-[3-[(3,3-Difluoro-1-azetidinyl)m...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H16F2N8S/c1-10-6-27-13(11-3-21-22-4-11)5-20-16(27)15(23-10)24-14-2-12(25-28-14)7-26-8-17(18,19)9-26/h2-6H,7-9H2,1H3,(H,21,22)(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335183
PNG
(CHEMBL1650540 | N-[3-[(3,3-Difluoro-1-piperidinyl)...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H20F2N8S/c1-12-9-29-15(13-6-23-24-7-13)8-22-18(29)17(25-12)26-16-5-14(27-30-16)10-28-4-2-3-19(20,21)11-28/h5-9H,2-4,10-11H2,1H3,(H,23,24)(H,25,26)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335187
PNG
(CHEMBL1650544 | N-[3-[(3(R)-Fluoro-1-pyrrolidinyl)...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H19FN8S/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335180
PNG
(CHEMBL1650537 | N-[3-[(4-Fluoro-1-piperidinyl)meth...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)CC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H21FN8S/c1-12-10-28-16(13-7-22-23-8-13)9-21-19(28)18(24-12)25-17-6-15(26-29-17)11-27-4-2-14(20)3-5-27/h6-10,14H,2-5,11H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335185
PNG
(CHEMBL1650542 | N-(6-methyl-3-(1H-pyrazol-4-yl)imi...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H20N8S/c1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-27-16)11-25-4-2-3-5-25/h6-10H,2-5,11H2,1H3,(H,20,21)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335186
PNG
(CHEMBL1650543 | N-[3-[(3(S)-Fluoro-1-pyrrolidinyl)...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC[C@H](F)C3)ns2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H19FN8S/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Curated by ChEMBL


Assay Description
Inhibition of EPHB4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCA


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Curated by ChEMBL


Assay Description
Inhibition of CSNK1D


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Curated by ChEMBL


Assay Description
Inhibition of CSNK1D


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1D


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCA


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCA


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335190
PNG
(CHEMBL1650547 | N-[3-[(3-Fluoro-1-azetidinyl)methy...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H17FN8S/c1-10-6-26-14(11-3-20-21-4-11)5-19-17(26)16(22-10)23-15-2-13(24-27-15)9-25-7-12(18)8-25/h2-6,12H,7-9H2,1H3,(H,20,21)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335182
PNG
(CHEMBL1650539 | N-[3-[(3-Fluoro-1-piperidinyl)meth...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H21FN8S/c1-12-9-28-16(13-6-22-23-7-13)8-21-19(28)18(24-12)25-17-5-15(26-29-17)11-27-4-2-3-14(20)10-27/h5-9,14H,2-4,10-11H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335178
PNG
(2-Methyl-2-[[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imid...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H23F3N8OS/c1-12-8-31-15(13-5-25-26-6-13)7-24-18(31)17(27-12)28-16-4-14(29-33-16)9-30(10-20(21,22)23)19(2,3)11-32/h4-8,32H,9-11H2,1-3H3,(H,25,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335184
PNG
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[4-(trifluorome...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(CC3)C(F)(F)F)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H21F3N8S/c1-12-10-31-16(13-7-25-26-8-13)9-24-19(31)18(27-12)28-17-6-15(29-32-17)11-30-4-2-14(3-5-30)20(21,22)23/h6-10,14H,2-5,11H2,1H3,(H,25,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335177
PNG
(2-[(2,2-Difluoroethyl)[[5-[[6-methyl-3-(1Hpyrazol-...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H24F2N8OS/c1-12-8-30-15(13-5-24-25-6-13)7-23-19(30)18(26-12)27-17-4-14(28-32-17)9-29(10-16(21)22)20(2,3)11-31/h4-8,16,31H,9-11H2,1-3H3,(H,24,25)(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EPHB4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EPHB4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50335188
PNG
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%