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PubMed code 21391610

Compile data set for download or QSAR
Found 139 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341530
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341542
PNG
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)
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8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341530
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
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<10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 45 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341525
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)
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11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
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11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341530
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
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16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341522
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341527
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341528
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341526
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
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23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341529
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r|
Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
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27n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
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27n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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32n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341530
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
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40n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341522
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
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46n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341542
PNG
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)
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46n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341524
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)
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69n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341528
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1
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80n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341523
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...)
Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
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80n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341523
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...)
Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
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81n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341522
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
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83n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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93n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341525
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)
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110n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341524
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)
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112n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
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120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
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120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341527
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341544
PNG
(3-(4-(Piperidin-1-yl)phenylcarbamoyl)-5-(pyridin-4...)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)c1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28)
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341523
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...)
Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
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145n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341524
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)
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148n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341525
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)
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155n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341543
PNG
(3-(4-(Pyrrolidin-1-yl)benzoylamino)-5-(pyridin-4-y...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C21H20N4O2/c26-20(16-3-5-18(6-4-16)25-11-1-2-12-25)24-19-13-17(14-23-21(19)27)15-7-9-22-10-8-15/h3-10,13-14H,1-2,11-12H2,(H,23,27)(H,24,26)
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170n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341542
PNG
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)
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210n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341541
PNG
(3-(4-Cyclohexylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C23H23N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18/h6-16H,1-5H2,(H,25,28)(H,26,27)
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220n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341523
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...)
Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
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220n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341526
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
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270n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341527
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1
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280n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341539
PNG
(3-(4-Propylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyr...)
Show SMILES CCCc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C20H19N3O2/c1-2-3-14-4-6-16(7-5-14)19(24)23-18-12-17(13-22-20(18)25)15-8-10-21-11-9-15/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24)
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280n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341528
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1
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300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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350n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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370n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341528
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341529
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r|
Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341529
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r|
Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
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410n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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430n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341524
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)
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480n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341529
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r|
Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
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480n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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490n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341538
PNG
(3-(4-Ethylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyri...)
Show SMILES CCc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H17N3O2/c1-2-13-3-5-15(6-4-13)18(23)22-17-11-16(12-21-19(17)24)14-7-9-20-10-8-14/h3-12H,2H2,1H3,(H,21,24)(H,22,23)
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530n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341526
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
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590n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341525
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)
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590n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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860n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TAK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PRAK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FAK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FES


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JNK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ABL


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MKK6


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIM1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TIE2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LYNA


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P38beta


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SGK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HCK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FYN


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
CaM kinase I delta


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CAMK1D


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ZIPK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ERBB4


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Ceramide kinase


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CERK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CSK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IR


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of NEK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BTK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CHEK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MSK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MST2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of YES


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EPHB2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of RON


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IDO1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P70S6K1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PRK2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of RSK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TBK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FER


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FER


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of AURORA A


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BMX


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of COT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50341526
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
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1.05E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341537
PNG
(3-(4-Methylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyr...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O2/c1-12-2-4-14(5-3-12)17(22)21-16-10-15(11-20-18(16)23)13-6-8-19-9-7-13/h2-11H,1H3,(H,20,23)(H,21,22)
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1.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341522
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
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1.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341527
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341532
PNG
(3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
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1.32E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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1.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ERK1


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-RAF


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341536
PNG
(3-(3-Methylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyr...)
Show SMILES Cc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O2/c1-12-3-2-4-14(9-12)17(22)21-16-10-15(11-20-18(16)23)13-5-7-19-8-6-13/h2-11H,1H3,(H,20,23)(H,21,22)
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2.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341542
PNG
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)
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2.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341535
PNG
(3-(4-Cyanobenzoylamino)-5-(pyridin-4-yl)-(1H)-pyri...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H12N4O2/c19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13/h1-9,11H,(H,21,24)(H,22,23)
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>6.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341533
PNG
(3-Cyclohexanoylamino-5-(pyridin-4-yl)-(1H)-pyridin...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C17H19N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h6-11,13H,1-5H2,(H,19,22)(H,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341534
PNG
(3-Phenylacetamido-5-(pyridin-4-yl)-(1H)-pyridin-2-...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O2/c22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14/h1-9,11-12H,10H2,(H,20,23)(H,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%