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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'deangelis' and Initial = 'a'   
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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50133057
PNG
(17,20,23-trioxa-4,14,26-triazahexacyclo[24.6.1.17,...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C28H27N3O5/c32-27-25-21-17-30(23-7-3-1-5-19(21)23)9-11-34-13-15-36-16-14-35-12-10-31-18-22(26(25)28(33)29-27)20-6-2-4-8-24(20)31/h1-8,17-18H,9-16H2,(H,29,32,33)
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n/an/a 6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against CDK2/cyclin A


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133059
PNG
(17,20,23-trioxa-4,12,14,26-tetraazahexacyclo[24.6....)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)
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n/an/a 17n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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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 CDK1/cyclin B


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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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 cyclin dependent kinase CDK1


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133061
PNG
(17,20,23,26-tetraoxa-4,14,29-triazahexacyclo[27.6....)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H31N3O6/c34-29-27-23-19-32(25-7-3-1-5-21(23)25)9-11-36-13-15-38-17-18-39-16-14-37-12-10-33-20-24(28(27)30(35)31-29)22-6-2-4-8-26(22)33/h1-8,19-20H,9-18H2,(H,31,34,35)
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n/an/a 26n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133064
PNG
(17,20,23-trioxa-4,12,14,26,28-pentaazahexacyclo[24...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
Show InChI InChI=1S/C26H25N5O5/c32-25-21-19-15-30(23-17(19)3-1-5-27-23)7-9-34-11-13-36-14-12-35-10-8-31-16-20(22(21)26(33)29-25)18-4-2-6-28-24(18)31/h1-6,15-16H,7-14H2,(H,29,32,33)
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n/an/a 34n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50133059
PNG
(17,20,23-trioxa-4,12,14,26-tetraazahexacyclo[24.6....)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)
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n/an/a 46n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133058
PNG
(17,20,23,26-tetraoxa-4,12,14,29,31-pentaazahexacyc...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
Show InChI InChI=1S/C28H29N5O6/c34-27-23-21-17-32(25-19(21)3-1-5-29-25)7-9-36-11-13-38-15-16-39-14-12-37-10-8-33-18-22(24(23)28(35)31-27)20-4-2-6-30-26(20)33/h1-6,17-18H,7-16H2,(H,31,34,35)
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n/an/a 48n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133065
PNG
(17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H35N3O7/c36-31-29-25-21-34(27-7-3-1-5-23(25)27)9-11-38-13-15-40-17-19-42-20-18-41-16-14-39-12-10-35-22-26(30(29)32(37)33-31)24-6-2-4-8-28(24)35/h1-8,21-22H,9-20H2,(H,33,36,37)
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n/an/a 51n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50169895
PNG
(3-{5-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cncc(c1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(8-13)23-17-22-11-21-16(24-17)12-7-15(10-19-9-12)20-5-2-6-25/h1,3-4,7-11,20,25H,2,5-6H2,(H,21,22,23,24)
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n/an/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cyclin dependent kinase (CDK1)


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6417
PNG
(4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)
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n/an/a 63n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50133057
PNG
(17,20,23-trioxa-4,14,26-triazahexacyclo[24.6.1.17,...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C28H27N3O5/c32-27-25-21-17-30(23-7-3-1-5-19(21)23)9-11-34-13-15-36-16-14-35-12-10-31-18-22(26(25)28(33)29-27)20-6-2-4-8-24(20)31/h1-8,17-18H,9-16H2,(H,29,32,33)
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n/an/a 65n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C theta


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6421
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1H-1,2,4-triazol-1-yl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cncn3)c2)c1
Show InChI InChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28)
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n/an/a 67n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6419
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(3-pyridinyl)propyl]am...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-6-1-7-20(11-19)29-23-16-27-15-22(30-23)18-10-21(14-26-13-18)28-9-3-5-17-4-2-8-25-12-17/h1-2,4,6-8,10-16,28H,3,5,9H2,(H,29,30)
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n/an/a 76n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6391
PNG
((3-Chloro-phenyl)-{6-[5-(3-pyridin-4-yl-propylamin...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-4-1-5-20(12-19)29-23-16-27-15-22(30-23)18-11-21(14-26-13-18)28-8-2-3-17-6-9-25-10-7-17/h1,4-7,9-16,28H,2-3,8H2,(H,29,30)
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n/an/a 76n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 84n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 84n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50133057
PNG
(17,20,23-trioxa-4,14,26-triazahexacyclo[24.6.1.17,...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C28H27N3O5/c32-27-25-21-17-30(23-7-3-1-5-19(21)23)9-11-34-13-15-36-16-14-35-12-10-31-18-22(26(25)28(33)29-27)20-6-2-4-8-24(20)31/h1-8,17-18H,9-16H2,(H,29,32,33)
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n/an/a 86n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6420
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1H-pyrazol-1-yl)propy...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cccn3)c2)c1
Show InChI InChI=1S/C21H20ClN7/c22-17-4-1-5-18(11-17)27-21-15-24-14-20(28-21)16-10-19(13-23-12-16)25-6-2-8-29-9-3-7-26-29/h1,3-5,7,9-15,25H,2,6,8H2,(H,27,28)
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n/an/a 94n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6418
PNG
(N-(3-chlorophenyl)-6-(5-{[2-(dimethylamino)ethyl]a...)
Show SMILES CN(C)CCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6408
PNG
((3-Chlorophenyl)-(6-{5-[3-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CCCNc2cncc(c2)-c2cncc(Nc3cccc(Cl)c3)n2)CC1
Show InChI InChI=1S/C23H28ClN7/c1-30-8-10-31(11-9-30)7-3-6-27-21-12-18(14-25-15-21)22-16-26-17-23(29-22)28-20-5-2-4-19(24)13-20/h2,4-5,12-17,27H,3,6-11H2,1H3,(H,28,29)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 126n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6398
PNG
(N-(3-chlorophenyl)-6-(5-{[3-(dimethylamino)propyl]...)
Show SMILES CN(C)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C20H23ClN6/c1-27(2)8-4-7-24-18-9-15(11-22-12-18)19-13-23-14-20(26-19)25-17-6-3-5-16(21)10-17/h3,5-6,9-14,24H,4,7-8H2,1-2H3,(H,25,26)
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n/an/a 135n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133063
PNG
(17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.0...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
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n/an/a 136n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133067
PNG
(17,20-dioxa-4,12,14,23-tetraazahexacyclo[21.6.1.17...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C25H22N4O4/c30-24-21-18-14-28(20-6-2-1-4-16(18)20)8-10-32-12-13-33-11-9-29-15-19(22(21)25(31)27-24)17-5-3-7-26-23(17)29/h1-7,14-15H,8-13H2,(H,27,30,31)
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n/an/a 138n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6421
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1H-1,2,4-triazol-1-yl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cncn3)c2)c1
Show InChI InChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28)
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n/an/a 153n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6388
PNG
(3-[(5-{6-[(3-fluorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C18H18FN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 168n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6409
PNG
(N-(3-chlorophenyl)-6-(5-{[3-(morpholin-4-yl)propyl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1
Show InChI InChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6393
PNG
((3,4-Dichloro-phenyl)-{6-[5-(3-pyridin-4-yl-propyl...)
Show SMILES Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1Cl
Show InChI InChI=1S/C23H20Cl2N6/c24-20-4-3-18(11-21(20)25)30-23-15-28-14-22(31-23)17-10-19(13-27-12-17)29-7-1-2-16-5-8-26-9-6-16/h3-6,8-15,29H,1-2,7H2,(H,30,31)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))
BDBM6421
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1H-1,2,4-triazol-1-yl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cncn3)c2)c1
Show InChI InChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28)
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n/an/a 196n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 210n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133057
PNG
(17,20,23-trioxa-4,14,26-triazahexacyclo[24.6.1.17,...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C28H27N3O5/c32-27-25-21-17-30(23-7-3-1-5-19(21)23)9-11-34-13-15-36-16-14-35-12-10-31-18-22(26(25)28(33)29-27)20-6-2-4-8-24(20)31/h1-8,17-18H,9-16H2,(H,29,32,33)
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n/an/a 220n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6407
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1-piperazinyl)propyl]...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCNCC3)c2)c1
Show InChI InChI=1S/C22H26ClN7/c23-18-3-1-4-19(12-18)28-22-16-26-15-21(29-22)17-11-20(14-25-13-17)27-5-2-8-30-9-6-24-7-10-30/h1,3-4,11-16,24,27H,2,5-10H2,(H,28,29)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6423
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}-6-fl...)
Show SMILES OCCCNc1cnc(F)c(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H17ClFN5O/c19-12-3-1-4-13(7-12)24-17-11-21-10-16(25-17)15-8-14(9-23-18(15)20)22-5-2-6-26/h1,3-4,7-11,22,26H,2,5-6H2,(H,24,25)
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n/an/a 251n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6412
PNG
(N-(3-Chlorophenyl)-6-[5-[[4-(4-pyridinyl)butyl]ami...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCCc3ccncc3)c2)c1
Show InChI InChI=1S/C24H23ClN6/c25-20-5-3-6-21(13-20)30-24-17-28-16-23(31-24)19-12-22(15-27-14-19)29-9-2-1-4-18-7-10-26-11-8-18/h3,5-8,10-17,29H,1-2,4,9H2,(H,30,31)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6397
PNG
(2-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H16ClN5O/c18-13-2-1-3-14(7-13)22-17-11-20-10-16(23-17)12-6-15(9-19-8-12)21-4-5-24/h1-3,6-11,21,24H,4-5H2,(H,22,23)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6419
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(3-pyridinyl)propyl]am...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-6-1-7-20(11-19)29-23-16-27-15-22(30-23)18-10-21(14-26-13-18)28-9-3-5-17-4-2-8-25-12-17/h1-2,4,6-8,10-16,28H,3,5,9H2,(H,29,30)
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n/an/a 293n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma (PKC-gamma)


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6402
PNG
(N-(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyridi...)
Show SMILES COCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H16ClN5O2/c1-26-11-18(25)23-15-5-12(7-20-8-15)16-9-21-10-17(24-16)22-14-4-2-3-13(19)6-14/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 308n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))
BDBM6419
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(3-pyridinyl)propyl]am...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-6-1-7-20(11-19)29-23-16-27-15-22(30-23)18-10-21(14-26-13-18)28-9-3-5-17-4-2-8-25-12-17/h1-2,4,6-8,10-16,28H,3,5,9H2,(H,29,30)
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n/an/a 318n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6420
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1H-pyrazol-1-yl)propy...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cccn3)c2)c1
Show InChI InChI=1S/C21H20ClN7/c22-17-4-1-5-18(11-17)27-21-15-24-14-20(28-21)16-10-19(13-23-12-16)25-6-2-8-29-9-3-7-26-29/h1,3-5,7,9-15,25H,2,6,8H2,(H,27,28)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50169896
PNG
(3-{5-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-[...)
Show SMILES OCCCNc1cncc(c1)-c1ncnc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C19H20N6O3/c26-5-1-4-21-15-8-13(10-20-11-15)18-22-12-23-19(25-18)24-14-2-3-16-17(9-14)28-7-6-27-16/h2-3,8-12,21,26H,1,4-7H2,(H,22,23,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cyclin dependent kinase (CDK1)


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6401
PNG
(N-(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyridi...)
Show SMILES OCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H14ClN5O2/c18-12-2-1-3-13(5-12)21-16-9-20-8-15(23-16)11-4-14(7-19-6-11)22-17(25)10-24/h1-9,24H,10H2,(H,21,23)(H,22,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
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