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PubMed code 17481894

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212033
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-(4-methyl...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(C#N)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
Show InChI InChI=1S/C27H33N7/c1-27(2,29)23-8-6-21(7-9-23)25-22(18-28)19-30-26(32-25)31-24-10-4-20(5-11-24)12-13-34-16-14-33(3)15-17-34/h4-11,19H,12-17,29H2,1-3H3,(H,30,31,32)
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n/an/a 21n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212029
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N
Show InChI InChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212040
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-hydroxyet...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C22H23N5O/c1-22(2,24)18-7-5-16(6-8-18)20-17(13-23)14-25-21(27-20)26-19-9-3-15(4-10-19)11-12-28/h3-10,14,28H,11-12,24H2,1-2H3,(H,25,26,27)
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n/an/a 52n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212034
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(3-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1C#N
Show InChI InChI=1S/C26H30N6O/c1-26(2,28)22-8-6-20(7-9-22)24-21(17-27)18-29-25(31-24)30-23-5-3-4-19(16-23)10-11-32-12-14-33-15-13-32/h3-9,16,18H,10-15,28H2,1-2H3,(H,29,30,31)
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n/an/a 55n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212043
PNG
(4-phenyl-2-(4-(pyrrolidin-1-ylmethyl)phenylamino)p...)
Show SMILES N#Cc1cnc(Nc2ccc(CN3CCCC3)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C22H21N5/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-10-8-17(9-11-20)16-27-12-4-5-13-27/h1-3,6-11,15H,4-5,12-13,16H2,(H,24,25,26)
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n/an/a 61n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212021
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(thiophen-2-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cccs2)cc1
Show InChI InChI=1S/C17H14N4OS/c18-10-13-11-19-17(21-16(13)15-2-1-9-23-15)20-14-5-3-12(4-6-14)7-8-22/h1-6,9,11,22H,7-8H2,(H,19,20,21)
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n/an/a 82n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212017
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-5-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C21H17N5O/c22-12-17-13-24-21(25-18-4-1-14(2-5-18)8-10-27)26-20(17)16-3-6-19-15(11-16)7-9-23-19/h1-7,9,11,13,23,27H,8,10H2,(H,24,25,26)
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n/an/a 90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212036
PNG
(2-(3-methoxy-4-(pyrrolidin-1-ylmethyl)phenylamino)...)
Show SMILES COc1cc(Nc2ncc(C#N)c(n2)-c2ccccc2)ccc1CN1CCCC1
Show InChI InChI=1S/C23H23N5O/c1-29-21-13-20(10-9-18(21)16-28-11-5-6-12-28)26-23-25-15-19(14-24)22(27-23)17-7-3-2-4-8-17/h2-4,7-10,13,15H,5-6,11-12,16H2,1H3,(H,25,26,27)
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n/an/a 91n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212014
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-(2-ethyl-...)
Show SMILES CCc1nccn1CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C27H29N7/c1-4-24-30-14-16-34(24)15-13-19-5-11-23(12-6-19)32-26-31-18-21(17-28)25(33-26)20-7-9-22(10-8-20)27(2,3)29/h5-12,14,16,18H,4,13,15,29H2,1-3H3,(H,31,32,33)
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n/an/a 94n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212030
PNG
(4-phenyl-2-(4-(2-(pyrrolidin-1-yl)ethyl)phenylamin...)
Show SMILES N#Cc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C23H23N5/c24-16-20-17-25-23(27-22(20)19-6-2-1-3-7-19)26-21-10-8-18(9-11-21)12-15-28-13-4-5-14-28/h1-3,6-11,17H,4-5,12-15H2,(H,25,26,27)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212016
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C20H18N4O2/c1-26-18-8-4-15(5-9-18)19-16(12-21)13-22-20(24-19)23-17-6-2-14(3-7-17)10-11-25/h2-9,13,25H,10-11H2,1H3,(H,22,23,24)
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n/an/a 150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212027
PNG
(4-(4-bromophenyl)-2-(4-(2-hydroxyethyl)phenylamino...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H15BrN4O/c20-16-5-3-14(4-6-16)18-15(11-21)12-22-19(24-18)23-17-7-1-13(2-8-17)9-10-25/h1-8,12,25H,9-10H2,(H,22,23,24)
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n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212031
PNG
(2-(4-(3-morpholino-3-oxopropyl)phenylamino)-4-phen...)
Show SMILES O=C(CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H23N5O2/c25-16-20-17-26-24(28-23(20)19-4-2-1-3-5-19)27-21-9-6-18(7-10-21)8-11-22(30)29-12-14-31-15-13-29/h1-7,9-10,17H,8,11-15H2,(H,26,27,28)
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n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212028
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-phenylpyrimidi...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N4O/c20-12-16-13-21-19(23-18(16)15-4-2-1-3-5-15)22-17-8-6-14(7-9-17)10-11-24/h1-9,13,24H,10-11H2,(H,21,22,23)
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212022
PNG
(4-(5-cyano-2-(4-(2-hydroxyethyl)phenylamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C19H17N5O3S/c20-11-15-12-22-19(23-16-5-1-13(2-6-16)9-10-25)24-18(15)14-3-7-17(8-4-14)28(21,26)27/h1-8,12,25H,9-10H2,(H2,21,26,27)(H,22,23,24)
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212026
PNG
(4-(benzo[d]thiazol-2-yl)-2-(4-(2-hydroxyethyl)phen...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H15N5OS/c21-11-14-12-22-20(23-15-7-5-13(6-8-15)9-10-26)25-18(14)19-24-16-3-1-2-4-17(16)27-19/h1-8,12,26H,9-10H2,(H,22,23,25)
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n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212038
PNG
(2-(3-(morpholinomethyl)phenylamino)-4-phenylpyrimi...)
Show SMILES N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H21N5O/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-8-4-5-17(13-20)16-27-9-11-28-12-10-27/h1-8,13,15H,9-12,16H2,(H,24,25,26)
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n/an/a 360n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212019
PNG
(2-(3-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1cccc(Nc2ncc(C#N)c(n2)-c2ccccc2)c1
Show InChI InChI=1S/C18H14N4O/c1-23-16-9-5-8-15(10-16)21-18-20-12-14(11-19)17(22-18)13-6-3-2-4-7-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 380n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212032
PNG
(2-(2-methyl-1H-indol-5-ylamino)-4-phenylpyrimidine...)
Show SMILES Cc1cc2cc(Nc3ncc(C#N)c(n3)-c3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H15N5/c1-13-9-15-10-17(7-8-18(15)23-13)24-20-22-12-16(11-21)19(25-20)14-5-3-2-4-6-14/h2-10,12,23H,1H3,(H,22,24,25)
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n/an/a 410n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212017
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-5-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C21H17N5O/c22-12-17-13-24-21(25-18-4-1-14(2-5-18)8-10-27)26-20(17)16-3-6-19-15(11-16)7-9-23-19/h1-7,9,11,13,23,27H,8,10H2,(H,24,25,26)
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n/an/a 410n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212013
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(4-(2-hydroxyp...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C22H22N4O2/c1-22(2,28)18-7-5-16(6-8-18)20-17(13-23)14-24-21(26-20)25-19-9-3-15(4-10-19)11-12-27/h3-10,14,27-28H,11-12H2,1-2H3,(H,24,25,26)
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n/an/a 410n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212039
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1C#N
Show InChI InChI=1S/C26H30N6O2/c1-26(2,28)21-5-3-19(4-6-21)24-20(17-27)18-29-25(31-24)30-22-7-9-23(10-8-22)34-16-13-32-11-14-33-15-12-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
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n/an/a 450n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212021
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(thiophen-2-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cccs2)cc1
Show InChI InChI=1S/C17H14N4OS/c18-10-13-11-19-17(21-16(13)15-2-1-9-23-15)20-14-5-3-12(4-6-14)7-8-22/h1-6,9,11,22H,7-8H2,(H,19,20,21)
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n/an/a 470n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212035
PNG
(2-(4-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-9-7-15(8-10-16)21-18-20-12-14(11-19)17(22-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 490n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212026
PNG
(4-(benzo[d]thiazol-2-yl)-2-(4-(2-hydroxyethyl)phen...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H15N5OS/c21-11-14-12-22-20(23-15-7-5-13(6-8-15)9-10-26)25-18(14)19-24-16-3-1-2-4-17(16)27-19/h1-8,12,26H,9-10H2,(H,22,23,25)
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n/an/a 560n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212023
PNG
(2-(p-toluidino)-4-phenylpyrimidine-5-carbonitrile ...)
Show SMILES Cc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)21-18-20-12-15(11-19)17(22-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212041
PNG
(4-phenyl-2-(phenylamino)pyrimidine-5-carbonitrile ...)
Show SMILES N#Cc1cnc(Nc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C17H12N4/c18-11-14-12-19-17(20-15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-10,12H,(H,19,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212024
PNG
(4-tert-butyl-2-(4-(2-hydroxyethyl)phenylamino)pyri...)
Show SMILES CC(C)(C)c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C17H20N4O/c1-17(2,3)15-13(10-18)11-19-16(21-15)20-14-6-4-12(5-7-14)8-9-22/h4-7,11,22H,8-9H2,1-3H3,(H,19,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212042
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-2-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H17N5O/c22-12-16-13-23-21(24-17-7-5-14(6-8-17)9-10-27)26-20(16)19-11-15-3-1-2-4-18(15)25-19/h1-8,11,13,25,27H,9-10H2,(H,23,24,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212016
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C20H18N4O2/c1-26-18-8-4-15(5-9-18)19-16(12-21)13-22-20(24-19)23-17-6-2-14(3-7-17)10-11-25/h2-9,13,25H,10-11H2,1H3,(H,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212040
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-hydroxyet...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C22H23N5O/c1-22(2,24)18-7-5-16(6-8-18)20-17(13-23)14-25-21(27-20)26-19-9-3-15(4-10-19)11-12-28/h3-10,14,28H,11-12,24H2,1-2H3,(H,25,26,27)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212024
PNG
(4-tert-butyl-2-(4-(2-hydroxyethyl)phenylamino)pyri...)
Show SMILES CC(C)(C)c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C17H20N4O/c1-17(2,3)15-13(10-18)11-19-16(21-15)20-14-6-4-12(5-7-14)8-9-22/h4-7,11,22H,8-9H2,1-3H3,(H,19,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212042
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-2-yl...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H17N5O/c22-12-16-13-23-21(24-17-7-5-14(6-8-17)9-10-27)26-20(16)19-11-15-3-1-2-4-18(15)25-19/h1-8,11,13,25,27H,9-10H2,(H,23,24,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212022
PNG
(4-(5-cyano-2-(4-(2-hydroxyethyl)phenylamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C19H17N5O3S/c20-11-15-12-22-19(23-16-5-1-13(2-6-16)9-10-25)24-18(15)14-3-7-17(8-4-14)28(21,26)27/h1-8,12,25H,9-10H2,(H2,21,26,27)(H,22,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212028
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-phenylpyrimidi...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N4O/c20-12-16-13-21-19(23-18(16)15-4-2-1-3-5-15)22-17-8-6-14(7-9-17)10-11-24/h1-9,13,24H,10-11H2,(H,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212038
PNG
(2-(3-(morpholinomethyl)phenylamino)-4-phenylpyrimi...)
Show SMILES N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H21N5O/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-8-4-5-17(13-20)16-27-9-11-28-12-10-27/h1-8,13,15H,9-12,16H2,(H,24,25,26)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212027
PNG
(4-(4-bromophenyl)-2-(4-(2-hydroxyethyl)phenylamino...)
Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H15BrN4O/c20-16-5-3-14(4-6-16)18-15(11-21)12-22-19(24-18)23-17-7-1-13(2-8-17)9-10-25/h1-8,12,25H,9-10H2,(H,22,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212031
PNG
(2-(4-(3-morpholino-3-oxopropyl)phenylamino)-4-phen...)
Show SMILES O=C(CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H23N5O2/c25-16-20-17-26-24(28-23(20)19-4-2-1-3-5-19)27-21-9-6-18(7-10-21)8-11-22(30)29-12-14-31-15-13-29/h1-7,9-10,17H,8,11-15H2,(H,26,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212015
PNG
(2-(naphthalen-2-ylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES N#Cc1cnc(Nc2ccc3ccccc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C21H14N4/c22-13-18-14-23-21(25-20(18)16-7-2-1-3-8-16)24-19-11-10-15-6-4-5-9-17(15)12-19/h1-12,14H,(H,23,24,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212013
PNG
(2-(4-(2-hydroxyethyl)phenylamino)-4-(4-(2-hydroxyp...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Show InChI InChI=1S/C22H22N4O2/c1-22(2,28)18-7-5-16(6-8-18)20-17(13-23)14-24-21(26-20)25-19-9-3-15(4-10-19)11-12-27/h3-10,14,27-28H,11-12H2,1-2H3,(H,24,25,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212035
PNG
(2-(4-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-9-7-15(8-10-16)21-18-20-12-14(11-19)17(22-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212032
PNG
(2-(2-methyl-1H-indol-5-ylamino)-4-phenylpyrimidine...)
Show SMILES Cc1cc2cc(Nc3ncc(C#N)c(n3)-c3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H15N5/c1-13-9-15-10-17(7-8-18(15)23-13)24-20-22-12-16(11-21)19(25-20)14-5-3-2-4-6-14/h2-10,12,23H,1H3,(H,22,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212023
PNG
(2-(p-toluidino)-4-phenylpyrimidine-5-carbonitrile ...)
Show SMILES Cc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H14N4/c1-13-7-9-16(10-8-13)21-18-20-12-15(11-19)17(22-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212029
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N
Show InChI InChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212019
PNG
(2-(3-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1cccc(Nc2ncc(C#N)c(n2)-c2ccccc2)c1
Show InChI InChI=1S/C18H14N4O/c1-23-16-9-5-8-15(10-16)21-18-20-12-14(11-19)17(22-18)13-6-3-2-4-7-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212014
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-(2-ethyl-...)
Show SMILES CCc1nccn1CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
Show InChI InChI=1S/C27H29N7/c1-4-24-30-14-16-34(24)15-13-19-5-11-23(12-6-19)32-26-31-18-21(17-28)25(33-26)20-7-9-22(10-8-20)27(2,3)29/h5-12,14,16,18H,4,13,15,29H2,1-3H3,(H,31,32,33)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212033
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-(4-methyl...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(C#N)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
Show InChI InChI=1S/C27H33N7/c1-27(2,29)23-8-6-21(7-9-23)25-22(18-28)19-30-26(32-25)31-24-10-4-20(5-11-24)12-13-34-16-14-33(3)15-17-34/h4-11,19H,12-17,29H2,1-3H3,(H,30,31,32)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212034
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(3-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1C#N
Show InChI InChI=1S/C26H30N6O/c1-26(2,28)22-8-6-20(7-9-22)24-21(17-27)18-29-25(31-24)30-23-5-3-4-19(16-23)10-11-32-12-14-33-15-13-32/h3-9,16,18H,10-15,28H2,1-2H3,(H,29,30,31)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212043
PNG
(4-phenyl-2-(4-(pyrrolidin-1-ylmethyl)phenylamino)p...)
Show SMILES N#Cc1cnc(Nc2ccc(CN3CCCC3)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C22H21N5/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-10-8-17(9-11-20)16-27-12-4-5-13-27/h1-3,6-11,15H,4-5,12-13,16H2,(H,24,25,26)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212030
PNG
(4-phenyl-2-(4-(2-(pyrrolidin-1-yl)ethyl)phenylamin...)
Show SMILES N#Cc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C23H23N5/c24-16-20-17-25-23(27-22(20)19-6-2-1-3-7-19)26-21-10-8-18(9-11-21)12-15-28-13-4-5-14-28/h1-3,6-11,17H,4-5,12-15H2,(H,25,26,27)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212036
PNG
(2-(3-methoxy-4-(pyrrolidin-1-ylmethyl)phenylamino)...)
Show SMILES COc1cc(Nc2ncc(C#N)c(n2)-c2ccccc2)ccc1CN1CCCC1
Show InChI InChI=1S/C23H23N5O/c1-29-21-13-20(10-9-18(21)16-28-11-5-6-12-28)26-23-25-15-19(14-24)22(27-23)17-7-3-2-4-8-17/h2-4,7-10,13,15H,5-6,11-12,16H2,1H3,(H,25,26,27)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212020
PNG
(4-phenyl-2-(pyrimidin-2-ylamino)pyrimidine-5-carbo...)
Show SMILES N#Cc1cnc(Nc2ncccn2)nc1-c1ccccc1
Show InChI InChI=1S/C15H10N6/c16-9-12-10-19-15(21-14-17-7-4-8-18-14)20-13(12)11-5-2-1-3-6-11/h1-8,10H,(H,17,18,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212012
PNG
(2-(1H-benzo[d]imidazol-2-ylamino)-4-phenylpyrimidi...)
Show SMILES N#Cc1cnc(Nc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C18H12N6/c19-10-13-11-20-17(23-16(13)12-6-2-1-3-7-12)24-18-21-14-8-4-5-9-15(14)22-18/h1-9,11H,(H2,20,21,22,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212041
PNG
(4-phenyl-2-(phenylamino)pyrimidine-5-carbonitrile ...)
Show SMILES N#Cc1cnc(Nc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C17H12N4/c18-11-14-12-19-17(20-15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-10,12H,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212015
PNG
(2-(naphthalen-2-ylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES N#Cc1cnc(Nc2ccc3ccccc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C21H14N4/c22-13-18-14-23-21(25-20(18)16-7-2-1-3-8-16)24-19-11-10-15-6-4-5-9-17(15)12-19/h1-12,14H,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212020
PNG
(4-phenyl-2-(pyrimidin-2-ylamino)pyrimidine-5-carbo...)
Show SMILES N#Cc1cnc(Nc2ncccn2)nc1-c1ccccc1
Show InChI InChI=1S/C15H10N6/c16-9-12-10-19-15(21-14-17-7-4-8-18-14)20-13(12)11-5-2-1-3-6-11/h1-8,10H,(H,17,18,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212037
PNG
(2-(2-chlorophenylamino)-4-phenylpyrimidine-5-carbo...)
Show SMILES Clc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN4/c18-14-8-4-5-9-15(14)21-17-20-11-13(10-19)16(22-17)12-6-2-1-3-7-12/h1-9,11H,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212025
PNG
(2-(2-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-10-6-5-9-15(16)21-18-20-12-14(11-19)17(22-18)13-7-3-2-4-8-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212012
PNG
(2-(1H-benzo[d]imidazol-2-ylamino)-4-phenylpyrimidi...)
Show SMILES N#Cc1cnc(Nc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C18H12N6/c19-10-13-11-20-17(23-16(13)12-6-2-1-3-7-12)24-18-21-14-8-4-5-9-15(14)22-18/h1-9,11H,(H2,20,21,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212025
PNG
(2-(2-methoxyphenylamino)-4-phenylpyrimidine-5-carb...)
Show SMILES COc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c1-23-16-10-6-5-9-15(16)21-18-20-12-14(11-19)17(22-18)13-7-3-2-4-8-13/h2-10,12H,1H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212037
PNG
(2-(2-chlorophenylamino)-4-phenylpyrimidine-5-carbo...)
Show SMILES Clc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN4/c18-14-8-4-5-9-15(14)21-17-20-11-13(10-19)16(22-17)12-6-2-1-3-7-12/h1-9,11H,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212018
PNG
(2-(4-chlorophenylamino)-4-phenylpyrimidine-5-carbo...)
Show SMILES Clc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H11ClN4/c18-14-6-8-15(9-7-14)21-17-20-11-13(10-19)16(22-17)12-4-2-1-3-5-12/h1-9,11H,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50212018
PNG
(2-(4-chlorophenylamino)-4-phenylpyrimidine-5-carbo...)
Show SMILES Clc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H11ClN4/c18-14-6-8-15(9-7-14)21-17-20-11-13(10-19)16(22-17)12-4-2-1-3-5-12/h1-9,11H,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50212039
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1C#N
Show InChI InChI=1S/C26H30N6O2/c1-26(2,28)21-5-3-19(4-6-21)24-20(17-27)18-29-25(31-24)30-22-7-9-23(10-8-22)34-16-13-32-11-14-33-15-12-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 activity


Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%