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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'lattanze' and Initial = 'j'   
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-V/beta-5


(Homo sapiens (Human))		BDBM50166693
PNG
(3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)
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n/an/a 0.210n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166695
PNG
(3-(5-Methoxy-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrah...)
Show SMILES COc1cncc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H28N4O4/c1-34-23-14-20(16-28-17-23)25(15-26(32)33)31-11-8-19-13-22(6-7-24(19)31)35-12-9-21-5-4-18-3-2-10-29-27(18)30-21/h4-8,11,13-14,16-17,25H,2-3,9-10,12,15H2,1H3,(H,29,30)(H,32,33)
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Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166693
PNG
(3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)
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n/an/a 0.25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166693
PNG
(3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)
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n/an/a 0.25n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166677
PNG
(3-(5-Cyano-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahyd...)
Show SMILES OC(=O)CC(c1cncc(c1)C#N)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H25N5O3/c28-15-18-12-21(17-29-16-18)25(14-26(33)34)32-10-7-20-13-23(5-6-24(20)32)35-11-8-22-4-3-19-2-1-9-30-27(19)31-22/h3-7,10,12-13,16-17,25H,1-2,8-9,11,14H2,(H,30,31)(H,33,34)
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n/an/a 0.260n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166688
PNG
(3-(6-Methanesulfonyl-pyridin-3-yl)-3-{5-[2-(5,6,7,...)
Show SMILES CS(=O)(=O)c1ccc(cn1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H28N4O5S/c1-37(34,35)25-9-5-20(17-29-25)24(16-26(32)33)31-13-10-19-15-22(7-8-23(19)31)36-14-11-21-6-4-18-3-2-12-28-27(18)30-21/h4-10,13,15,17,24H,2-3,11-12,14,16H2,1H3,(H,28,30)(H,32,33)
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n/an/a 0.300n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166683
PNG
(3-Quinolin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]n...)
Show SMILES OC(=O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C30H28N4O3/c35-29(36)18-28(23-16-21-4-1-2-6-26(21)32-19-23)34-14-11-22-17-25(9-10-27(22)34)37-15-12-24-8-7-20-5-3-13-31-30(20)33-24/h1-2,4,6-11,14,16-17,19,28H,3,5,12-13,15,18H2,(H,31,33)(H,35,36)
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n/an/a 0.380n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166678
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)
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n/an/a 0.380n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166678
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)
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n/an/a 0.380n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166669
PNG
(3-(5-Methanesulfonyl-pyridin-3-yl)-3-{5-[2-(5,6,7,...)
Show SMILES CS(=O)(=O)c1cncc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H28N4O5S/c1-37(34,35)23-14-20(16-28-17-23)25(15-26(32)33)31-11-8-19-13-22(6-7-24(19)31)36-12-9-21-5-4-18-3-2-10-29-27(18)30-21/h4-8,11,13-14,16-17,25H,2-3,9-10,12,15H2,1H3,(H,29,30)(H,32,33)
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n/an/a 0.460n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166675
PNG
(3-(3-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...)
Show SMILES OC(=O)CC(c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H26ClN3O3/c28-21-5-1-3-19(15-21)25(17-26(32)33)31-13-10-20-16-23(8-9-24(20)31)34-14-11-22-7-6-18-4-2-12-29-27(18)30-22/h1,3,5-10,13,15-16,25H,2,4,11-12,14,17H2,(H,29,30)(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50201116
PNG
(3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50166678
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50166691
PNG
(3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)
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n/an/a 0.680n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166680
PNG
(3-(4-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...)
Show SMILES COc1ccc(cc1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H29N3O4/c1-34-23-8-5-19(6-9-23)26(18-27(32)33)31-15-12-21-17-24(10-11-25(21)31)35-16-13-22-7-4-20-3-2-14-29-28(20)30-22/h4-12,15,17,26H,2-3,13-14,16,18H2,1H3,(H,29,30)(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166668
PNG
(3-(4-Fluoro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...)
Show SMILES OC(=O)CC(c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H26FN3O3/c28-21-6-3-18(4-7-21)25(17-26(32)33)31-14-11-20-16-23(9-10-24(20)31)34-15-12-22-8-5-19-2-1-13-29-27(19)30-22/h3-11,14,16,25H,1-2,12-13,15,17H2,(H,29,30)(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166682
PNG
(3-(3-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...)
Show SMILES COc1cccc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H29N3O4/c1-34-23-6-2-4-20(16-23)26(18-27(32)33)31-14-11-21-17-24(9-10-25(21)31)35-15-12-22-8-7-19-5-3-13-29-28(19)30-22/h2,4,6-11,14,16-17,26H,3,5,12-13,15,18H2,1H3,(H,29,30)(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
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n/an/a 0.860n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166665
PNG
(3-Pyridin-4-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...)
Show SMILES OC(=O)CC(c1ccncc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H26N4O3/c31-25(32)17-24(18-7-12-27-13-8-18)30-14-9-20-16-22(5-6-23(20)30)33-15-10-21-4-3-19-2-1-11-28-26(19)29-21/h3-9,12-14,16,24H,1-2,10-11,15,17H2,(H,28,29)(H,31,32)
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n/an/a 0.900n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50201116
PNG
(3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)
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n/an/a 0.960n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50201118
PNG
(3-phenyl-3-(4-(2-(5,6,7,8-tetrahydro-1,8-naphthyri...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C27H27N3O2/c31-26(32)18-25(20-6-2-1-3-7-20)30-17-15-23-19(8-4-10-24(23)30)11-13-22-14-12-21-9-5-16-28-27(21)29-22/h1-4,6-8,10,12,14-15,17,25H,5,9,11,13,16,18H2,(H,28,29)(H,31,32)
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n/an/a 0.960n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166691
PNG
(3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166691
PNG
(3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)
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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
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166692
PNG
(3-(2-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...)
Show SMILES COc1ccccc1C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H29N3O4/c1-34-26-7-3-2-6-23(26)25(18-27(32)33)31-15-12-20-17-22(10-11-24(20)31)35-16-13-21-9-8-19-5-4-14-29-28(19)30-21/h2-3,6-12,15,17,25H,4-5,13-14,16,18H2,1H3,(H,29,30)(H,32,33)
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n/an/a 1.10n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50201118
PNG
(3-phenyl-3-(4-(2-(5,6,7,8-tetrahydro-1,8-naphthyri...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C27H27N3O2/c31-26(32)18-25(20-6-2-1-3-7-20)30-17-15-23-19(8-4-10-24(23)30)11-13-22-14-12-21-9-5-16-28-27(21)29-22/h1-4,6-8,10,12,14-15,17,25H,5,9,11,13,16,18H2,(H,28,29)(H,31,32)
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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
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166673
PNG
(3-Pyridin-2-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...)
Show SMILES OC(=O)CC(c1ccccn1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H26N4O3/c31-25(32)17-24(22-5-1-2-12-27-22)30-14-10-19-16-21(8-9-23(19)30)33-15-11-20-7-6-18-4-3-13-28-26(18)29-20/h1-2,5-10,12,14,16,24H,3-4,11,13,15,17H2,(H,28,29)(H,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50201117
PNG
(3-(pyridin-3-yl)-3-(4-((5,6,7,8-tetrahydro-1,8-nap...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(NCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C25H25N5O2/c31-24(32)14-23(18-5-2-11-26-15-18)30-13-10-20-21(6-1-7-22(20)30)28-16-19-9-8-17-4-3-12-27-25(17)29-19/h1-2,5-11,13,15,23,28H,3-4,12,14,16H2,(H,27,29)(H,31,32)
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n/an/a 4.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166674
PNG
(3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)
Show SMILES CCCC(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C24H29N3O3/c1-2-4-20(16-23(28)29)27-13-10-18-15-21(8-9-22(18)27)30-14-11-19-7-6-17-5-3-12-25-24(17)26-19/h6-10,13,15,20H,2-5,11-12,14,16H2,1H3,(H,25,26)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166672
PNG
(3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)
Show SMILES OC(=O)CCn1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-20(26)8-12-24-11-7-16-14-18(5-6-19(16)24)27-13-9-17-4-3-15-2-1-10-22-21(15)23-17/h3-7,11,14H,1-2,8-10,12-13H2,(H,22,23)(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166687
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(3,4-dihydro-2H-py...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4OCCNc4n3)ccc12
Show InChI InChI=1S/C27H25N3O6/c31-26(32)15-22(17-1-5-23-25(14-17)36-16-35-23)30-10-7-18-13-20(3-4-21(18)30)33-11-8-19-2-6-24-27(29-19)28-9-12-34-24/h1-7,10,13-14,22H,8-9,11-12,15-16H2,(H,28,29)(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50201117
PNG
(3-(pyridin-3-yl)-3-(4-((5,6,7,8-tetrahydro-1,8-nap...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(NCc3ccc4CCCNc4n3)cccc12 |w:4.3|
Show InChI InChI=1S/C25H25N5O2/c31-24(32)14-23(18-5-2-11-26-15-18)30-13-10-20-21(6-1-7-22(20)30)28-16-19-9-8-17-4-3-12-27-25(17)29-19/h1-2,5-11,13,15,23,28H,3-4,12,14,16H2,(H,27,29)(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50201115
PNG
(3-phenyl-3-(5-(3-(5,6,7,8-tetrahydro-1,8-naphthyri...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12 |w:4.3|
Show InChI InChI=1S/C28H29N3O2/c32-27(33)19-26(21-7-2-1-3-8-21)31-17-15-23-18-20(11-14-25(23)31)6-4-10-24-13-12-22-9-5-16-29-28(22)30-24/h1-3,7-8,11-15,17-18,26H,4-6,9-10,16,19H2,(H,29,30)(H,32,33)
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50201115
PNG
(3-phenyl-3-(5-(3-(5,6,7,8-tetrahydro-1,8-naphthyri...)
Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12 |w:4.3|
Show InChI InChI=1S/C28H29N3O2/c32-27(33)19-26(21-7-2-1-3-8-21)31-17-15-23-18-20(11-14-25(23)31)6-4-10-24-13-12-22-9-5-16-29-28(22)30-24/h1-3,7-8,11-15,17-18,26H,4-6,9-10,16,19H2,(H,29,30)(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay

Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166679
PNG
(3-{5-[3-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)
Show SMILES CCCC(CC(O)=O)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C25H31N3O2/c1-2-5-22(17-24(29)30)28-15-13-20-16-18(9-12-23(20)28)6-3-8-21-11-10-19-7-4-14-26-25(19)27-21/h9-13,15-16,22H,2-8,14,17H2,1H3,(H,26,27)(H,29,30)
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n/an/a 23n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185111
PNG
(2-(3,4-dimethoxybenzamido)-5,6-dihydro-4H-cyclopen...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1sc2CCCc2c1C(N)=O
Show InChI InChI=1S/C17H18N2O4S/c1-22-11-7-6-9(8-12(11)23-2)16(21)19-17-14(15(18)20)10-4-3-5-13(10)24-17/h6-8H,3-5H2,1-2H3,(H2,18,20)(H,19,21)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50161783
PNG
(3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...)
Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1
Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)
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n/an/a 36n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166666
PNG
(3-Naphthalen-2-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8...)
Show SMILES OC(=O)CC(c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C31H29N3O3/c35-30(36)20-29(24-8-7-21-4-1-2-5-23(21)18-24)34-16-13-25-19-27(11-12-28(25)34)37-17-14-26-10-9-22-6-3-15-32-31(22)33-26/h1-2,4-5,7-13,16,18-19,29H,3,6,14-15,17,20H2,(H,32,33)(H,35,36)
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166686
PNG
(3-Naphthalen-1-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8...)
Show SMILES OC(=O)CC(c1cccc2ccccc12)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C31H29N3O3/c35-30(36)20-29(27-9-3-6-21-5-1-2-8-26(21)27)34-17-14-23-19-25(12-13-28(23)34)37-18-15-24-11-10-22-7-4-16-32-31(22)33-24/h1-3,5-6,8-14,17,19,29H,4,7,15-16,18,20H2,(H,32,33)(H,35,36)
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166685
PNG
(3-Biphenyl-4-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]n...)
Show SMILES OC(=O)CC(c1ccc(cc1)-c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C33H31N3O3/c37-32(38)22-31(25-10-8-24(9-11-25)23-5-2-1-3-6-23)36-19-16-27-21-29(14-15-30(27)36)39-20-17-28-13-12-26-7-4-18-34-33(26)35-28/h1-3,5-6,8-16,19,21,31H,4,7,17-18,20,22H2,(H,34,35)(H,37,38)
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n/an/a 40n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185084
PNG
(2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydrobenzo...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)
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n/an/a 42n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185092
PNG
(2-(4-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]th...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C17H18N2O2S/c1-10-6-8-11(9-7-10)16(21)19-17-14(15(18)20)12-4-2-3-5-13(12)22-17/h6-9H,2-5H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 52n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166690
PNG
(3-(2-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...)
Show SMILES OC(=O)CC(c1ccccc1Cl)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C27H26ClN3O3/c28-23-6-2-1-5-22(23)25(17-26(32)33)31-14-11-19-16-21(9-10-24(19)31)34-15-12-20-8-7-18-4-3-13-29-27(18)30-20/h1-2,5-11,14,16,25H,3-4,12-13,15,17H2,(H,29,30)(H,32,33)
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n/an/a 55n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166671
PNG
(3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)
Show SMILES CCCC(CC(O)=O)n1ccc2cc(NC(=O)Cc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C24H28N4O3/c1-2-4-20(15-23(30)31)28-12-10-17-13-18(8-9-21(17)28)26-22(29)14-19-7-6-16-5-3-11-25-24(16)27-19/h6-10,12-13,20H,2-5,11,14-15H2,1H3,(H,25,27)(H,26,29)(H,30,31)
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n/an/a 78n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185113
PNG
(2-(3-methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]t...)
Show SMILES COc1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C17H18N2O3S/c1-22-11-6-4-5-10(9-11)16(21)19-17-14(15(18)20)12-7-2-3-8-13(12)23-17/h4-6,9H,2-3,7-8H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185083
PNG
(CHEMBL380184 | N-(3-carbamoyl-4,5,6,7-tetrahydrobe...)
Show SMILES NC(=O)c1c(NC(=O)c2ccncc2)sc2CCCCc12
Show InChI InChI=1S/C15H15N3O2S/c16-13(19)12-10-3-1-2-4-11(10)21-15(12)18-14(20)9-5-7-17-8-6-9/h5-8H,1-4H2,(H2,16,19)(H,18,20)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185104
PNG
(2-(4-methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]t...)
Show SMILES COc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C17H18N2O3S/c1-22-11-8-6-10(7-9-11)16(21)19-17-14(15(18)20)12-4-2-3-5-13(12)23-17/h6-9H,2-5H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50166676
PNG
(3-{5-[2,2-Difluoro-2-(5,6,7,8-tetrahydro-[1,8]naph...)
Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C26H24F2N4O3/c27-26(28,23-8-5-17-3-2-11-30-25(17)31-23)16-35-20-6-7-21-18(13-20)9-12-32(21)22(14-24(33)34)19-4-1-10-29-15-19/h1,4-10,12-13,15,22H,2-3,11,14,16H2,(H,30,31)(H,33,34)
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n/an/a 130n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin

Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185099
PNG
(2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetr...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2sc3CCCCc3c2C(N)=O)cc1OC
Show InChI InChI=1S/C20H22N2O4S/c1-25-14-9-7-12(11-15(14)26-2)8-10-17(23)22-20-18(19(21)24)13-5-3-4-6-16(13)27-20/h7-11H,3-6H2,1-2H3,(H2,21,24)(H,22,23)/b10-8+
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n/an/a 130n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185080
PNG
(CHEMBL426687 | N-(3-carbamoyl-4,5,6,7-tetrahydrobe...)
Show SMILES NC(=O)c1c(NC(=O)c2ccc3OCOc3c2)sc2CCCCc12
Show InChI InChI=1S/C17H16N2O4S/c18-15(20)14-10-3-1-2-4-13(10)24-17(14)19-16(21)9-5-6-11-12(7-9)23-8-22-11/h5-7H,1-4,8H2,(H2,18,20)(H,19,21)
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n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3

Bioorg Med Chem Lett 16: 3282-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.032
BindingDB Entry DOI: 10.7270/Q2R49QCV
More data for this
Ligand-Target Pair
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