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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'proost' and Initial = 'jc'   
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
Integrin alpha-V/beta-3


(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 0.400n/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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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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n/an/a 0.700n/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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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 0.800n/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
Integrin alpha-V/beta-3


(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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n/an/a 0.800n/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
Integrin alpha-V/beta-3


(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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n/an/a 1n/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
Integrin alpha-V/beta-3


(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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n/an/a 1.10n/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
Integrin alpha-V/beta-3


(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 1.20n/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-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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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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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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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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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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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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n/an/a 2.60n/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
Integrin alpha-V/beta-3


(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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n/an/a 2.60n/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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-5


(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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153572
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(1,4,5,6-tetrahyd...)
Show SMILES OC(=O)CC(NC(=O)C1CCN(CC1)C(=O)c1cccc(NC2=NCCCC2)c1)c1ccc2OCOc2c1 |t:23|
Show InChI InChI=1S/C28H32N4O6/c33-26(34)16-22(19-7-8-23-24(15-19)38-17-37-23)31-27(35)18-9-12-32(13-10-18)28(36)20-4-3-5-21(14-20)30-25-6-1-2-11-29-25/h3-5,7-8,14-15,18,22H,1-2,6,9-13,16-17H2,(H,29,30)(H,31,35)(H,33,34)
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n/an/a 10.4n/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
Integrin alpha-V/beta-5


(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 17n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153561
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)c1cccnc1 |t:21|
Show InChI InChI=1S/C21H30N6O4/c28-18(4-2-8-23-21-24-9-10-25-21)27-11-5-15(6-12-27)20(31)26-17(13-19(29)30)16-3-1-7-22-14-16/h1,3,7,14-15,17H,2,4-6,8-13H2,(H,26,31)(H,29,30)(H2,23,24,25)
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n/an/a 19n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153561
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)c1cccnc1 |t:21|
Show InChI InChI=1S/C21H30N6O4/c28-18(4-2-8-23-21-24-9-10-25-21)27-11-5-15(6-12-27)20(31)26-17(13-19(29)30)16-3-1-7-22-14-16/h1,3,7,14-15,17H,2,4-6,8-13H2,(H,26,31)(H,29,30)(H2,23,24,25)
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n/an/a 19n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153563
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[1-(4-5,6,7,8-tetrahydro...)
Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H35N3O5/c32-26(5-1-4-23-8-6-20-3-2-12-29-28(20)30-23)31-13-10-19(11-14-31)15-22(17-27(33)34)21-7-9-24-25(16-21)36-18-35-24/h6-9,16,19,22H,1-5,10-15,17-18H2,(H,29,30)(H,33,34)
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n/an/a 20.6n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153567
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{[1-(3-5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(NC(=O)C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H32N4O6/c32-24(8-6-20-5-3-17-2-1-11-28-26(17)29-20)31-12-9-18(10-13-31)27(35)30-21(15-25(33)34)19-4-7-22-23(14-19)37-16-36-22/h3-5,7,14,18,21H,1-2,6,8-13,15-16H2,(H,28,29)(H,30,35)(H,33,34)
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n/an/a 21.7n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153568
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(N''-pyridin-4-yl...)
Show SMILES NC(NCc1ccncc1)=Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 |w:10.11|
Show InChI InChI=1S/C30H32N6O6/c31-30(33-17-19-6-10-32-11-7-19)34-23-3-1-2-22(14-23)29(40)36-12-8-20(9-13-36)28(39)35-24(16-27(37)38)21-4-5-25-26(15-21)42-18-41-25/h1-7,10-11,14-15,20,24H,8-9,12-13,16-18H2,(H,35,39)(H,37,38)(H3,31,33,34)
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n/an/a 25.3n/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
Integrin alpha-V/beta-3


(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 26n/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
Integrin alpha-V/beta-3


(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 26n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50153562
PNG
(3-Benzo[1,3]dioxol-5-yl-3-[1-(3-5,6,7,8-tetrahydro...)
Show SMILES OC(=O)CC(C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H31N3O5/c30-24(8-6-20-5-3-18-2-1-11-27-26(18)28-20)29-12-9-17(10-13-29)21(15-25(31)32)19-4-7-22-23(14-19)34-16-33-22/h3-5,7,14,17,21H,1-2,6,8-13,15-16H2,(H,27,28)(H,31,32)
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n/an/a 28.1n/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
Integrin alpha-V/beta-5


(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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n/an/a 36n/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
Integrin alpha-V/beta-5


(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 44n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50155807
PNG
(3-(1-Methyl-1,2,3,4-tetrahydro-quinolin-3-yl)-4-[1...)
Show SMILES CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)
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n/an/a 49n/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
Integrin alpha-V/beta-3


(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 52n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50153568
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(N''-pyridin-4-yl...)
Show SMILES NC(NCc1ccncc1)=Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 |w:10.11|
Show InChI InChI=1S/C30H32N6O6/c31-30(33-17-19-6-10-32-11-7-19)34-23-3-1-2-22(14-23)29(40)36-12-8-20(9-13-36)28(39)35-24(16-27(37)38)21-4-5-25-26(15-21)42-18-41-25/h1-7,10-11,14-15,20,24H,8-9,12-13,16-18H2,(H,35,39)(H,37,38)(H3,31,33,34)
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n/an/a 56.4n/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
Integrin alpha-V/beta-3


(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 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
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