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Compile Data Set for Download or QSAR

Found 320 hits with Last Name = 'johnson' and Initial = 'dl'   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155810
PNG
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)
Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155806
PNG
((S)-3-Quinolin-3-yl-3-[1-(4-5,6,7,8-tetrahydro-[1,...)
Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H34N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,17,19-20,25H,3-4,6-7,9,12-16,18H2,(H,30,32)(H,35,36)/t25-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14192
PNG
(3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...)
Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)
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n/an/a 0.600n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14208
PNG
(3-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-...)
Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
Show InChI InChI=1S/C18H13N5O2/c24-17(25)12-4-3-5-14(10-12)21-18-20-11-13-7-9-23(16(13)22-18)15-6-1-2-8-19-15/h1-11H,(H,24,25)(H,20,21,22)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155810
PNG
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)
Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153559
PNG
(3-(2-Methyl-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-tetrah...)
Show SMILES Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C25H33N5O3/c1-17-27-15-21(16-28-17)20(14-24(32)33)13-18-8-11-30(12-9-18)23(31)7-6-22-5-4-19-3-2-10-26-25(19)29-22/h4-5,15-16,18,20H,2-3,6-14H2,1H3,(H,26,29)(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155813
PNG
((R)-3-Quinolin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H34N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,17,19-20,23H,3,5,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153566
PNG
(3-Pyridin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,8]nap...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cccnc1
Show InChI InChI=1S/C25H32N4O3/c30-23(8-7-22-6-5-19-3-2-12-27-25(19)28-22)29-13-9-18(10-14-29)15-21(16-24(31)32)20-4-1-11-26-17-20/h1,4-6,11,17-18,21H,2-3,7-10,12-16H2,(H,27,28)(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
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Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of poly(Glu:Tyr) by purified recombinant human FLT3. The extent of phospho...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179206
PNG
(3-trifluoromethyl-N-(6,7-dimethoxy-2,4-dihydroinde...)
Show SMILES COc1cc2Cc3c(Nc4cccc(c4)C(F)(F)F)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C19H16F3N3O2/c1-26-15-7-10-6-14-17(13(10)9-16(15)27-2)24-25-18(14)23-12-5-3-4-11(8-12)19(20,21)22/h3-5,7-9H,6H2,1-2H3,(H2,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antiproliferative activity against PDGF-BB stimulated HCASMC


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153554
PNG
(3-(3-Fluoro-phenyl)-4-[1-(3-5,6,7,8-tetrahydro-[1,...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cccc(F)c1
Show InChI InChI=1S/C26H32FN3O3/c27-22-5-1-3-20(16-22)21(17-25(32)33)15-18-10-13-30(14-11-18)24(31)9-8-23-7-6-19-4-2-12-28-26(19)29-23/h1,3,5-7,16,18,21H,2,4,8-15,17H2,(H,28,29)(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153553
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[1-(3-5,6,7,8-tetrahydro...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N3O5/c31-25(8-6-22-5-3-19-2-1-11-28-27(19)29-22)30-12-9-18(10-13-30)14-21(16-26(32)33)20-4-7-23-24(15-20)35-17-34-23/h3-5,7,15,18,21H,1-2,6,8-14,16-17H2,(H,28,29)(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155809
PNG
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153555
PNG
(3-(2,4-Dimethoxy-pyrimidin-5-yl)-4-[1-(3-5,6,7,8-t...)
Show SMILES COc1ncc(C(CC2CCN(CC2)C(=O)CCc2ccc3CCCNc3n2)CC(O)=O)c(OC)n1
Show InChI InChI=1S/C26H35N5O5/c1-35-25-21(16-28-26(30-25)36-2)19(15-23(33)34)14-17-9-12-31(13-10-17)22(32)8-7-20-6-5-18-4-3-11-27-24(18)29-20/h5-6,16-17,19H,3-4,7-15H2,1-2H3,(H,27,29)(H,33,34)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155808
PNG
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155809
PNG
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153558
PNG
(3-Benzo[1,3]dioxol-5-yl-5-{1-[3-(5-hydroxy-1,4,5,6...)
Show SMILES OC1CCC(Nc2cccc(c2)C(=O)N2CCC(CCC(CC(O)=O)c3ccc4OCOc4c3)CC2)=NC1 |c:39|
Show InChI InChI=1S/C29H35N3O6/c33-24-7-9-27(30-17-24)31-23-3-1-2-22(14-23)29(36)32-12-10-19(11-13-32)4-5-21(16-28(34)35)20-6-8-25-26(15-20)38-18-37-25/h1-3,6,8,14-15,19,21,24,33H,4-5,7,9-13,16-18H2,(H,30,31)(H,34,35)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153569
PNG
(3-Naphthalen-2-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,8]...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H35N3O3/c34-28(12-11-27-10-9-23-6-3-15-31-30(23)32-27)33-16-13-21(14-17-33)18-26(20-29(35)36)25-8-7-22-4-1-2-5-24(22)19-25/h1-2,4-5,7-10,19,21,26H,3,6,11-18,20H2,(H,31,32)(H,35,36)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153570
PNG
(3-Benzo[1,3]dioxol-5-yl-3-[1-(4-5,6,7,8-tetrahydro...)
Show SMILES OC(=O)CC(C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N3O5/c31-25(5-1-4-21-8-6-19-3-2-12-28-27(19)29-21)30-13-10-18(11-14-30)22(16-26(32)33)20-7-9-23-24(15-20)35-17-34-23/h6-9,15,18,22H,1-5,10-14,16-17H2,(H,28,29)(H,32,33)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50155813
PNG
((R)-3-Quinolin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H34N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,17,19-20,23H,3,5,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155814
PNG
(4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,20,23-24,31H,3,5,9-19H2,(H,30,32)(H,35,36)
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n/an/a 2.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155812
PNG
((S)-3-Quinolin-3-yl-3-{[1-(3-5,6,7,8-tetrahydro-[1...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H33N5O4/c35-26(10-9-23-8-7-19-5-3-13-30-28(19)32-23)34-14-11-20(12-15-34)29(38)33-25(17-27(36)37)22-16-21-4-1-2-6-24(21)31-18-22/h1-2,4,6-8,16,18,20,25H,3,5,9-15,17H2,(H,30,32)(H,33,38)(H,36,37)/t25-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153573
PNG
(3-Quinolin-3-yl-3-{[1-(3-5,6,7,8-tetrahydro-[1,8]n...)
Show SMILES OC(=O)CC(NC(=O)C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C29H33N5O4/c35-26(10-9-23-8-7-19-5-3-13-30-28(19)32-23)34-14-11-20(12-15-34)29(38)33-25(17-27(36)37)22-16-21-4-1-2-6-24(21)31-18-22/h1-2,4,6-8,16,18,20,25H,3,5,9-15,17H2,(H,30,32)(H,33,38)(H,36,37)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155809
PNG
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50155810
PNG
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)
Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153571
PNG
(3-({1-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyr...)
Show SMILES OC(=O)CC(NC(=O)C1CCN(CC1)C(=O)CCCNC1=NCCN1)c1cnc2ccccc2c1 |t:21|
Show InChI InChI=1S/C25H32N6O4/c32-22(6-3-9-26-25-27-10-11-28-25)31-12-7-17(8-13-31)24(35)30-21(15-23(33)34)19-14-18-4-1-2-5-20(18)29-16-19/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,30,35)(H,33,34)(H2,26,27,28)
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n/an/a 2.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179207
PNG
(3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]...)
Show SMILES COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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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
Antiproliferative activity against PDGF-BB stimulated HCASMC


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14201
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenyl-7H-p...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1
Show InChI InChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
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n/an/a 3n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179212
PNG
(3-chloro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]...)
Show SMILES COc1cc2Cc3c(Nc4cccc(Cl)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16ClN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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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
Inhibitory activity against PDGFRbeta kinase


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50155810
PNG
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)
Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155811
PNG
((S)-3-({1-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-b...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCCNC1=NCCN1)c1cnc2ccccc2c1 |t:21|
Show InChI InChI=1S/C25H32N6O4/c32-22(6-3-9-26-25-27-10-11-28-25)31-12-7-17(8-13-31)24(35)30-21(15-23(33)34)19-14-18-4-1-2-5-20(18)29-16-19/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,30,35)(H,33,34)(H2,26,27,28)/t21-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155808
PNG
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179207
PNG
(3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]...)
Show SMILES COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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n/an/a 4.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14207
PNG
(N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(pyridin-2-...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
Show InChI InChI=1S/C22H23N7/c1-27-11-13-28(14-12-27)19-6-4-5-18(15-19)25-22-24-16-17-8-10-29(21(17)26-22)20-7-2-3-9-23-20/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
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n/an/a 5n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179211
PNG
(3-bromo-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]p...)
Show SMILES COc1cc2Cc3c(Nc4cccc(Br)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16BrN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50155808
PNG
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50153564
PNG
(3-({1-[3-(5-Hydroxy-1,4,5,6-tetrahydro-pyridin-2-y...)
Show SMILES OC1CCC(Nc2cccc(c2)C(=O)N2CCC(CC2)C(=O)NC(CC(O)=O)c2cnc3ccccc3c2)=NC1 |c:41|
Show InChI InChI=1S/C30H33N5O5/c36-24-8-9-27(32-18-24)33-23-6-3-5-21(15-23)30(40)35-12-10-19(11-13-35)29(39)34-26(16-28(37)38)22-14-20-4-1-2-7-25(20)31-17-22/h1-7,14-15,17,19,24,26,36H,8-13,16,18H2,(H,32,33)(H,34,39)(H,37,38)
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n/an/a 5.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human vitronectin binding to immobilized Alpha v beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14203
PNG
(7-(3-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C24H26N6O/c1-28-11-13-29(14-12-28)20-6-3-5-19(15-20)26-24-25-17-18-9-10-30(23(18)27-24)21-7-4-8-22(16-21)31-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,26,27)
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n/an/a 6n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14191
PNG
(N-{7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-4...)
Show SMILES COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1
Show InChI InChI=1S/C19H30N6O/c1-26-14-13-23-9-11-24(12-10-23)22-19-20-15-16-7-8-25(18(16)21-19)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,20,21,22)
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n/an/a 6n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50155809
PNG
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50155809
PNG
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)
Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin


Bioorg Med Chem Lett 14: 5937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14197
PNG
(7-(3-methanesulfonylphenyl)-N-[4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
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n/an/a 9n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179210
PNG
((7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ph...)
Show SMILES COc1ccc2Cc3c(Nc4ccccc4)[nH]nc3-c2c1
Show InChI InChI=1S/C17H15N3O/c1-21-13-8-7-11-9-15-16(14(11)10-13)19-20-17(15)18-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antiproliferative activity against PDGF-BB stimulated HCASMC


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179209
PNG
((6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-y...)
Show SMILES COc1cc2Cc3c(Nc4ccccc4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H17N3O2/c1-22-15-9-11-8-14-17(13(11)10-16(15)23-2)20-21-18(14)19-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50179204
PNG
(3-methoxy-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c...)
Show SMILES COc1cccc(Nc2[nH]nc-3c2Cc2cc(OC)c(OC)cc-32)c1
Show InChI InChI=1S/C19H19N3O3/c1-23-13-6-4-5-12(9-13)20-19-15-7-11-8-16(24-2)17(25-3)10-14(11)18(15)21-22-19/h4-6,8-10H,7H2,1-3H3,(H2,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


J Med Chem 48: 8163-73 (2005)


Article DOI: 10.1021/jm050680m
BindingDB Entry DOI: 10.7270/Q2W095HW
More data for this
Ligand-Target Pair
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