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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'ericsson' and Initial = 'am'   
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
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 60n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 80n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Protein kinase C eta 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155151
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9|
Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-
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n/an/a 100n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50188272
PNG
(7-((1H-imidazol-1-yl)methyl)-3-(thiophen-3-yl)-1,4...)
Show SMILES C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
Show InChI InChI=1S/C18H14N4S/c1-2-13-8-16-17(14-3-6-23-10-14)20-21-18(16)15(13)7-12(1)9-22-5-4-19-11-22/h1-7,10-11H,8-9H2,(H,20,21)
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n/an/a 103n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit by HTRF assay


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
Cyclin-dependent 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 140n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50188266
PNG
(7-((4-methylpiperazin-1-yl)methyl)-3-(thiophen-3-y...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1
Show InChI InChI=1S/C20H22N4S/c1-23-5-7-24(8-6-23)12-14-2-3-15-11-18-19(16-4-9-25-13-16)21-22-20(18)17(15)10-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,22)
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n/an/a 145n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit by HTRF assay


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 160n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50188272
PNG
(7-((1H-imidazol-1-yl)methyl)-3-(thiophen-3-yl)-1,4...)
Show SMILES C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
Show InChI InChI=1S/C18H14N4S/c1-2-13-8-16-17(14-3-6-23-10-14)20-21-18(16)15(13)7-12(1)9-22-5-4-19-11-22/h1-7,10-11H,8-9H2,(H,20,21)
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n/an/a 169n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4 by HTRF assay


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155147
PNG
(2-[7-([1,4'']Bipiperidinyl-1''-carbonyl)-1H-indol-...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1cccc2c(\C=C3/Sc4ccccc4NC3=O)c[nH]c12
Show InChI InChI=1S/C28H30N4O2S/c33-27-25(35-24-10-3-2-9-23(24)30-27)17-19-18-29-26-21(19)7-6-8-22(26)28(34)32-15-11-20(12-16-32)31-13-4-1-5-14-31/h2-3,6-10,17-18,20,29H,1,4-5,11-16H2,(H,30,33)/b25-17-
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n/an/a 170n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188266
PNG
(7-((4-methylpiperazin-1-yl)methyl)-3-(thiophen-3-y...)
Show SMILES CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1
Show InChI InChI=1S/C20H22N4S/c1-23-5-7-24(8-6-23)12-14-2-3-15-11-18-19(16-4-9-25-13-16)21-22-20(18)17(15)10-14/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 210n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155151
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9|
Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-
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n/an/a 230n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 290n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188272
PNG
(7-((1H-imidazol-1-yl)methyl)-3-(thiophen-3-yl)-1,4...)
Show SMILES C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
Show InChI InChI=1S/C18H14N4S/c1-2-13-8-16-17(14-3-6-23-10-14)20-21-18(16)15(13)7-12(1)9-22-5-4-19-11-22/h1-7,10-11H,8-9H2,(H,20,21)
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n/an/a 293n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Cyclin-dependent 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Rho-associated 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188283
PNG
(6-((4-methylpiperazin-1-yl)methyl)-3-(thiophen-3-y...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccsc3)c2)CC1
Show InChI InChI=1S/C20H22N4S/c1-23-5-7-24(8-6-23)12-14-2-3-17-16(10-14)11-18-19(21-22-20(17)18)15-4-9-25-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,22)
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n/an/a 400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155145
PNG
(4-(1H-Indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihy...)
Show SMILES O=C1NN=C(\C1=C\c1cc2ccccc2[nH]1)c1cnccn1 |c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-12(15(20-21-16)14-9-17-5-6-18-14)8-11-7-10-3-1-2-4-13(10)19-11/h1-9,19H,(H,21,22)/b12-8-
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n/an/a 410n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Rho-associated 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 470n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188281
PNG
(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroi...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(O)cc3)c2)CC1
Show InChI InChI=1S/C22H24N4O/c1-25-8-10-26(11-9-25)14-15-2-7-19-17(12-15)13-20-21(23-24-22(19)20)16-3-5-18(27)6-4-16/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,24)
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n/an/a 500n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Serine/threonine-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 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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188290
PNG
(7-((4-methylpiperazin-1-yl)methyl)-3-phenyl-1,4-di...)
Show SMILES CN1CCN(Cc2ccc3Cc4c([nH]nc4-c4ccccc4)-c3c2)CC1
Show InChI InChI=1S/C22H24N4/c1-25-9-11-26(12-10-25)15-16-7-8-18-14-20-21(17-5-3-2-4-6-17)23-24-22(20)19(18)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,24)
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n/an/a 600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50188272
PNG
(7-((1H-imidazol-1-yl)methyl)-3-(thiophen-3-yl)-1,4...)
Show SMILES C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
Show InChI InChI=1S/C18H14N4S/c1-2-13-8-16-17(14-3-6-23-10-14)20-21-18(16)15(13)7-12(1)9-22-5-4-19-11-22/h1-7,10-11H,8-9H2,(H,20,21)
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n/an/a 601n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 by HTRF assay


Bioorg Med Chem Lett 16: 4371-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.052
BindingDB Entry DOI: 10.7270/Q2QJ7GX6
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay


Bioorg Med Chem Lett 20: 330-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.102
BindingDB Entry DOI: 10.7270/Q24M95GT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
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