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PubMed code 15715463

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50161784
PNG
(3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...)
Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)
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n/an/a 2.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta5 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
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 49n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta3 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50161781
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
Show InChI InChI=1S/C19H20N2O3S/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 140n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta5 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(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 210n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta5 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50161781
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
Show InChI InChI=1S/C19H20N2O3S/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 300n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta3 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50161782
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
Show InChI InChI=1S/C19H20N2O4/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 330n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta3 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))		BDBM50161782
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
Show InChI InChI=1S/C19H20N2O4/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 420n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta5 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50161784
PNG
(3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...)
Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)
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n/an/a 470n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaV-beta3 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50161781
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
Show InChI InChI=1S/C19H20N2O3S/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alpha5-beta1 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(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 1.50E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alpha5-beta1 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50161781
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
Show InChI InChI=1S/C19H20N2O3S/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50161784
PNG
(3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...)
Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alpha5-beta1 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50161782
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
Show InChI InChI=1S/C19H20N2O4/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/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>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50161782
PNG
(3-{6-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-benzo...)
Show SMILES CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
Show InChI InChI=1S/C19H20N2O4/c1-20-18-4-2-3-14(21-18)9-10-24-15-6-7-16-13(5-8-19(22)23)12-25-17(16)11-15/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,20,21)(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alpha5-beta1 integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50161784
PNG
(3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...)
Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA

J Med Chem 48: 926-34 (2005)


Article DOI: 10.1021/jm049725u
BindingDB Entry DOI: 10.7270/Q2W37VTG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%