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PubMed code 19926477

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305013
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CCC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C24H18N6O2S/c25-24-26-11-18-23(28-24)17(12-30(18)6-5-21(31)32)14-7-15-10-27-29-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H,27,29)(H,31,32)(H2,25,26,28)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305007
PNG
(5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-...)
Show SMILES NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H21N7S/c25-6-3-7-31-13-18(23-19(31)12-27-24(26)29-23)15-8-16-11-28-30-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13H,3,6-7,25H2,(H,28,30)(H2,26,27,29)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305010
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CCCO)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C24H20N6OS/c25-24-26-12-19-23(28-24)18(13-30(19)6-3-7-31)15-8-16-11-27-29-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13,31H,3,6-7H2,(H,27,29)(H2,25,26,28)
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305014
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES NC(=O)CCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H19N7OS/c25-21(32)5-6-31-12-17(23-18(31)11-27-24(26)29-23)14-7-15-10-28-30-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H2,25,32)(H,28,30)(H2,26,27,29)
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 53n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of pdk1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305003
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-p...)
Show SMILES Nc1ncc2[nH]cc(-c3cc(-c4cc5ccccc5s4)c4n[nH]cc4c3)c2n1
Show InChI InChI=1S/C21H14N6S/c22-21-24-10-16-20(26-21)15(9-23-16)12-5-13-8-25-27-19(13)14(6-12)18-7-11-3-1-2-4-17(11)28-18/h1-10,23H,(H,25,27)(H2,22,24,26)
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n/an/a 56n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 98n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCeta


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305000
PNG
(CHEMBL600081 | N4-(3-(benzo[b]thiophen-2-yl)-1H-in...)
Show SMILES Nc1nccc(Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)n1
Show InChI InChI=1S/C19H14N6S/c20-19-21-8-7-17(23-19)22-12-5-6-14-13(10-12)18(25-24-14)16-9-11-3-1-2-4-15(11)26-16/h1-10H,(H,24,25)(H3,20,21,22,23)
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305001
PNG
(CHEMBL592288 | N4-(3-(1H-pyrrol-2-yl)-1H-indazol-5...)
Show SMILES Nc1nccc(Nc2ccc3[nH]nc(-c4ccc[nH]4)c3c2)n1
Show InChI InChI=1S/C15H13N7/c16-15-18-7-5-13(20-15)19-9-3-4-11-10(8-9)14(22-21-11)12-2-1-6-17-12/h1-8,17H,(H,21,22)(H3,16,18,19,20)
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 210n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CTAK1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305008
PNG
(5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C25H23N7S/c26-7-3-4-8-32-14-19(24-20(32)13-28-25(27)30-24)16-9-17-12-29-31-23(17)18(10-16)22-11-15-5-1-2-6-21(15)33-22/h1-2,5-6,9-14H,3-4,7-8,26H2,(H,29,31)(H2,27,28,30)
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n/an/a 260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304999
PNG
(CHEMBL590834 | N4-(3-(naphthalen-2-yl)-1H-indazol-...)
Show SMILES Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1
Show InChI InChI=1S/C21H16N6/c22-21-23-10-9-19(25-21)24-16-7-8-18-17(12-16)20(27-26-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H,(H,26,27)(H3,22,23,24,25)
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 380n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK4


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305016
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-is...)
Show SMILES CC(C)n1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H20N6S/c1-13(2)30-12-18(23-19(30)11-26-24(25)28-23)15-7-16-10-27-29-22(16)17(8-15)21-9-14-5-3-4-6-20(14)31-21/h3-13H,1-2H3,(H,27,29)(H2,25,26,28)
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n/an/a 490n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 510n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PAK1


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 530n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ck1delta


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 570n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 690n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SGK


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304994
PNG
(CHEMBL589650 | N4-(7-(naphthalen-2-yl)-1H-indazol-...)
Show SMILES Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1
Show InChI InChI=1S/C21H16N6/c22-21-23-8-7-19(26-21)25-17-10-16-12-24-27-20(16)18(11-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H,(H,24,27)(H3,22,23,25,26)
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n/an/a 720n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305011
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(3...)
Show SMILES COCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C25H22N6OS/c1-32-8-4-7-31-14-19(24-20(31)13-27-25(26)29-24)16-9-17-12-28-30-23(17)18(10-16)22-11-15-5-2-3-6-21(15)33-22/h2-3,5-6,9-14H,4,7-8H2,1H3,(H,28,30)(H2,26,27,29)
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n/an/a 820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 860n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 940n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2 (PKD2)


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 950n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKD2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305009
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2...)
Show SMILES Nc1ncc2n(CCC3CCNCC3)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C28H27N7S/c29-28-31-15-23-27(33-28)22(16-35(23)10-7-17-5-8-30-9-6-17)19-11-20-14-32-34-26(20)21(12-19)25-13-18-3-1-2-4-24(18)36-25/h1-4,11-17,30H,5-10H2,(H,32,34)(H2,29,31,33)
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n/an/a 960n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3Beta


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304996
PNG
(CHEMBL590110 | N4-(7-(benzofuran-2-yl)-1H-indazol-...)
Show SMILES Nc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1
Show InChI InChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305002
PNG
(7-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-a...)
Show SMILES Nc1ncc2[nH]cc(-c3ccc4n[nH]cc4c3)c2n1
Show InChI InChI=1S/C13H10N6/c14-13-16-6-11-12(18-13)9(5-15-11)7-1-2-10-8(3-7)4-17-19-10/h1-6,15H,(H,17,19)(H2,14,16,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304995
PNG
(CHEMBL591305 | N4-(7-(benzo[b]thiophen-2-yl)-1H-in...)
Show SMILES Nc1nccc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1
Show InChI InChI=1S/C19H14N6S/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305012
PNG
(2-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C23H16N6O2S/c24-23-25-9-17-22(27-23)16(10-29(17)11-20(30)31)13-5-14-8-26-28-21(14)15(6-13)19-7-12-3-1-2-4-18(12)32-19/h1-10H,11H2,(H,26,28)(H,30,31)(H2,24,25,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305005
PNG
(7-(1H-indazol-5-yl)-5-methyl-5H-pyrrolo[3,2-d]pyri...)
Show SMILES Cn1cc(-c2ccc3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C14H12N6/c1-20-7-10(13-12(20)6-16-14(15)18-13)8-2-3-11-9(4-8)5-17-19-11/h2-7H,1H3,(H,17,19)(H2,15,16,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PAK4 kinase domain


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304998
PNG
(CHEMBL589626 | N4-(3-(thiophen-3-yl)-1H-indazol-5-...)
Show SMILES Nc1nccc(Nc2ccc3[nH]nc(-c4ccsc4)c3c2)n1
Show InChI InChI=1S/C15H12N6S/c16-15-17-5-3-13(19-15)18-10-1-2-12-11(7-10)14(21-20-12)9-4-6-22-8-9/h1-8H,(H,20,21)(H3,16,17,18,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC4


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38-gamma


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AuroraB


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ZIPK


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304993
PNG
(CHEMBL591328 | N4-(7-(thiophen-3-yl)-1H-indazol-5-...)
Show SMILES Nc1nccc(Nc2cc(-c3ccsc3)c3[nH]ncc3c2)n1
Show InChI InChI=1S/C15H12N6S/c16-15-17-3-1-13(20-15)19-11-5-10-7-18-21-14(10)12(6-11)9-2-4-22-8-9/h1-8H,(H,18,21)(H3,16,17,19,20)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38delta


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BLK


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304997
PNG
(CHEMBL585958 | N4-(7-iodo-1H-indazol-5-yl)pyrimidi...)
Show SMILES Nc1nccc(Nc2cc(I)c3[nH]ncc3c2)n1
Show InChI InChI=1S/C11H9IN6/c12-8-4-7(3-6-5-15-18-10(6)8)16-9-1-2-14-11(13)17-9/h1-5H,(H,15,18)(H3,13,14,16,17)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LYN


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERBB2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-kit


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of COT


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EPHA2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
High affinity immunoglobulin gamma Fc receptor I


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGFR1R


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor


(Homo Sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor type 2


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TRKB


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P70S6K


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ITK


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PIM2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TYK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Insulin receptor-related protein


(Homo sapiens)
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of INSR


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine kinase-type cell surface receptor HER4


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERBB4


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cMET


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FGFR3


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 334-7 (2010)

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


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304992
PNG
(CHEMBL584617 | N4-(3-iodo-1H-indazol-5-yl)pyrimidi...)
Show SMILES Nc1nccc(Nc2ccc3[nH]nc(I)c3c2)n1
Show InChI InChI=1S/C11H9IN6/c12-10-7-5-6(1-2-8(7)17-18-10)15-9-3-4-14-11(13)16-9/h1-5H,(H,17,18)(H3,13,14,15,16)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50304991
PNG
(CHEMBL584423 | N4-(1H-indazol-5-yl)pyrimidine-2,4-...)
Show SMILES Nc1nccc(Nc2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C11H10N6/c12-11-13-4-3-10(16-11)15-8-1-2-9-7(5-8)6-14-17-9/h1-6H,(H,14,17)(H3,12,13,15,16)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305004
PNG
(7-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-a...)
Show SMILES Nc1ncc2ccn(-c3ccc4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C13H10N6/c14-13-15-6-8-3-4-19(12(8)17-13)10-1-2-11-9(5-10)7-16-18-11/h1-7H,(H,16,18)(H2,14,15,17)
PDB
MMDB

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n/an/a 4.90E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50305015
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(c...)
Show SMILES Nc1ncc2n(cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1)C1C=CC=C1
Show InChI InChI=1S/C26H18N6S/c27-26-28-13-21-25(30-26)20(14-32(21)18-6-2-3-7-18)16-9-17-12-29-31-24(17)19(10-16)23-11-15-5-1-4-8-22(15)33-23/h1-14,18H,(H,29,31)(H2,27,28,30)
PDB
MMDB

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PC cid
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UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%