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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 324.3
BDBM50141312
Wt: 328.3
BDBM50141318
Wt: 326.3
BDBM50141320
Wt: 338.3
BDBM50141323
Wt: 338.3
BDBM50141330
Wt: 342.3
BDBM50141342
Wt: 340.3
BDBM50161782
Wt: 339.3
BDBM50161783
Wt: 339.3
BDBM50161784
Wt: 328.4
BDBM50209119
Wt: 331.3
BDBM50327742
Wt: 331.3
BDBM50327746
Wt: 345.3
BDBM50327747
Wt: 331.3
BDBM50327749
Wt: 345.3
BDBM50327750
Displayed 1 to 15 (of 299 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 59 hits in this display   
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
ITGAV/ITGB5


(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-IIb/beta-3


(Homo sapiens (Human))
BDBM50141312
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-acrylic ac...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1
Show InChI InChI=1S/C17H16N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-10H,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141342
PNG
(3-[3-Fluoro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1F
Show InChI InChI=1S/C17H15FN4O3/c18-13-8-10(5-7-15(23)24)4-6-14(13)22-16(25)11-2-1-3-12(9-11)21-17(19)20/h1-9H,(H,22,25)(H,23,24)(H4,19,20,21)
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141342
PNG
(3-[3-Fluoro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1F
Show InChI InChI=1S/C17H15FN4O3/c18-13-8-10(5-7-15(23)24)4-6-14(13)22-16(25)11-2-1-3-12(9-11)21-17(19)20/h1-9H,(H,22,25)(H,23,24)(H4,19,20,21)
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n/an/a 9.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141312
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-acrylic ac...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1
Show InChI InChI=1S/C17H16N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-10H,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141320
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-propionic ...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H18N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-5,7-8,10H,6,9H2,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141318
PNG
(CHEMBL290288 | [4-(3-Guanidino-benzoylamino)-pheno...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C16H16N4O4/c17-16(18)20-12-3-1-2-10(8-12)15(23)19-11-4-6-13(7-5-11)24-9-14(21)22/h1-8H,9H2,(H,19,23)(H,21,22)(H4,17,18,20)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141312
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-acrylic ac...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1
Show InChI InChI=1S/C17H16N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-10H,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141342
PNG
(3-[3-Fluoro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1F
Show InChI InChI=1S/C17H15FN4O3/c18-13-8-10(5-7-15(23)24)4-6-14(13)22-16(25)11-2-1-3-12(9-11)21-17(19)20/h1-9H,(H,22,25)(H,23,24)(H4,19,20,21)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141318
PNG
(CHEMBL290288 | [4-(3-Guanidino-benzoylamino)-pheno...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C16H16N4O4/c17-16(18)20-12-3-1-2-10(8-12)15(23)19-11-4-6-13(7-5-11)24-9-14(21)22/h1-8H,9H2,(H,19,23)(H,21,22)(H4,17,18,20)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141330
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methyl-phenyl]-a...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1C=CC(O)=O
Show InChI InChI=1S/C18H18N4O3/c1-11-9-15(7-5-12(11)6-8-16(23)24)21-17(25)13-3-2-4-14(10-13)22-18(19)20/h2-10H,1H3,(H,21,25)(H,23,24)(H4,19,20,22)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209119
PNG
(3-methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl...)
Show SMILES CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H24N2O3/c1-15(14-19(22)23)13-16-6-8-17(9-7-16)24-12-4-11-21-18-5-2-3-10-20-18/h2-3,5-10,15H,4,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141320
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-propionic ...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H18N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-5,7-8,10H,6,9H2,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141323
PNG
(2-[4-(3-Guanidino-benzoylamino)-phenyl]-cyclopropa...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1C(O)=O
Show InChI InChI=1S/C18H18N4O3/c19-18(20)22-13-3-1-2-11(8-13)16(23)21-12-6-4-10(5-7-12)14-9-15(14)17(24)25/h1-8,14-15H,9H2,(H,21,23)(H,24,25)(H4,19,20,22)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50209119
PNG
(3-methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl...)
Show SMILES CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H24N2O3/c1-15(14-19(22)23)13-16-6-8-17(9-7-16)24-12-4-11-21-18-5-2-3-10-20-18/h2-3,5-10,15H,4,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta5 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(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
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141312
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-acrylic ac...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1
Show InChI InChI=1S/C17H16N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-10H,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141342
PNG
(3-[3-Fluoro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1F
Show InChI InChI=1S/C17H15FN4O3/c18-13-8-10(5-7-15(23)24)4-6-14(13)22-16(25)11-2-1-3-12(9-11)21-17(19)20/h1-9H,(H,22,25)(H,23,24)(H4,19,20,21)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(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
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141330
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methyl-phenyl]-a...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1C=CC(O)=O
Show InChI InChI=1S/C18H18N4O3/c1-11-9-15(7-5-12(11)6-8-16(23)24)21-17(25)13-3-2-4-14(10-13)22-18(19)20/h2-10H,1H3,(H,21,25)(H,23,24)(H4,19,20,22)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209119
PNG
(3-methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl...)
Show SMILES CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H24N2O3/c1-15(14-19(22)23)13-16-6-8-17(9-7-16)24-12-4-11-21-18-5-2-3-10-20-18/h2-3,5-10,15H,4,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 51n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141323
PNG
(2-[4-(3-Guanidino-benzoylamino)-phenyl]-cyclopropa...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1C(O)=O
Show InChI InChI=1S/C18H18N4O3/c19-18(20)22-13-3-1-2-11(8-13)16(23)21-12-6-4-10(5-7-12)14-9-15(14)17(24)25/h1-8,14-15H,9H2,(H,21,23)(H,24,25)(H4,19,20,22)
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141330
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methyl-phenyl]-a...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1C=CC(O)=O
Show InChI InChI=1S/C18H18N4O3/c1-11-9-15(7-5-12(11)6-8-16(23)24)21-17(25)13-3-2-4-14(10-13)22-18(19)20/h2-10H,1H3,(H,21,25)(H,23,24)(H4,19,20,22)
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n/an/a 73n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141320
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-propionic ...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H18N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-5,7-8,10H,6,9H2,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 93n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50209119
PNG
(3-methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl...)
Show SMILES CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H24N2O3/c1-15(14-19(22)23)13-16-6-8-17(9-7-16)24-12-4-11-21-18-5-2-3-10-20-18/h2-3,5-10,15H,4,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 102n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141312
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-acrylic ac...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1
Show InChI InChI=1S/C17H16N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-10H,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 109n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141330
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methyl-phenyl]-a...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1C=CC(O)=O
Show InChI InChI=1S/C18H18N4O3/c1-11-9-15(7-5-12(11)6-8-16(23)24)21-17(25)13-3-2-4-14(10-13)22-18(19)20/h2-10H,1H3,(H,21,25)(H,23,24)(H4,19,20,22)
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n/an/a 121n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141318
PNG
(CHEMBL290288 | [4-(3-Guanidino-benzoylamino)-pheno...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C16H16N4O4/c17-16(18)20-12-3-1-2-10(8-12)15(23)19-11-4-6-13(7-5-11)24-9-14(21)22/h1-8H,9H2,(H,19,23)(H,21,22)(H4,17,18,20)
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n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141320
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-propionic ...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H18N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-5,7-8,10H,6,9H2,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141318
PNG
(CHEMBL290288 | [4-(3-Guanidino-benzoylamino)-pheno...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C16H16N4O4/c17-16(18)20-12-3-1-2-10(8-12)15(23)19-11-4-6-13(7-5-11)24-9-14(21)22/h1-8H,9H2,(H,19,23)(H,21,22)(H4,17,18,20)
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n/an/a 144n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50141323
PNG
(2-[4-(3-Guanidino-benzoylamino)-phenyl]-cyclopropa...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1C(O)=O
Show InChI InChI=1S/C18H18N4O3/c19-18(20)22-13-3-1-2-11(8-13)16(23)21-12-6-4-10(5-7-12)14-9-15(14)17(24)25/h1-8,14-15H,9H2,(H,21,23)(H,24,25)(H4,19,20,22)
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n/an/a 149n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(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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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
ITGAV/ITGB3


(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
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141323
PNG
(2-[4-(3-Guanidino-benzoylamino)-phenyl]-cyclopropa...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1C(O)=O
Show InChI InChI=1S/C18H18N4O3/c19-18(20)22-13-3-1-2-11(8-13)16(23)21-12-6-4-10(5-7-12)14-9-15(14)17(24)25/h1-8,14-15H,9H2,(H,21,23)(H,24,25)(H4,19,20,22)
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n/an/a 339n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141318
PNG
(CHEMBL290288 | [4-(3-Guanidino-benzoylamino)-pheno...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C16H16N4O4/c17-16(18)20-12-3-1-2-10(8-12)15(23)19-11-4-6-13(7-5-11)24-9-14(21)22/h1-8H,9H2,(H,19,23)(H,21,22)(H4,17,18,20)
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n/an/a 351n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(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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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
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141342
PNG
(3-[3-Fluoro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1F
Show InChI InChI=1S/C17H15FN4O3/c18-13-8-10(5-7-15(23)24)4-6-14(13)22-16(25)11-2-1-3-12(9-11)21-17(19)20/h1-9H,(H,22,25)(H,23,24)(H4,19,20,21)
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n/an/a 426n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(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& 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
ITGAV/ITGB3


(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
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141330
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methyl-phenyl]-a...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1C=CC(O)=O
Show InChI InChI=1S/C18H18N4O3/c1-11-9-15(7-5-12(11)6-8-16(23)24)21-17(25)13-3-2-4-14(10-13)22-18(19)20/h2-10H,1H3,(H,21,25)(H,23,24)(H4,19,20,22)
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n/an/a 505n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141323
PNG
(2-[4-(3-Guanidino-benzoylamino)-phenyl]-cyclopropa...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1C(O)=O
Show InChI InChI=1S/C18H18N4O3/c19-18(20)22-13-3-1-2-11(8-13)16(23)21-12-6-4-10(5-7-12)14-9-15(14)17(24)25/h1-8,14-15H,9H2,(H,21,23)(H,24,25)(H4,19,20,22)
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n/an/a 533n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50141320
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-propionic ...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C17H18N4O3/c18-17(19)21-14-3-1-2-12(10-14)16(24)20-13-7-4-11(5-8-13)6-9-15(22)23/h1-5,7-8,10H,6,9H2,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 758n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50327749
PNG
((S)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)
Show SMILES NC(N)=NCc1cn(CC(=O)N[C@@H](C(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m1/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta5


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50327750
PNG
((S)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)
Show SMILES NC(N)=NCCc1cn(CC(=O)N[C@@H](C(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/m1/s1
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta3


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50209119
PNG
(3-methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl...)
Show SMILES CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H24N2O3/c1-15(14-19(22)23)13-16-6-8-17(9-7-16)24-12-4-11-21-18-5-2-3-10-20-18/h2-3,5-10,15H,4,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphabeta6 receptor expressed in HT29 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50327750
PNG
((S)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)
Show SMILES NC(N)=NCCc1cn(CC(=O)N[C@@H](C(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/m1/s1
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n/an/a 4.38E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta5


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50327742
PNG
(CHEMBL1257508 | {[2-(4-Guanidinomethyl[1,2,3]triaz...)
Show SMILES NC(N)=NCc1cn(CC(=O)N(CC(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-20(19-18-10)8-12(22)21(9-13(23)24)11-4-2-1-3-5-11/h1-5,7H,6,8-9H2,(H,23,24)(H4,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta3


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50327746
PNG
((R)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)
Show SMILES NC(N)=NCc1cn(CC(=O)N[C@H](C(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta3


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50327749
PNG
((S)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)
Show SMILES NC(N)=NCc1cn(CC(=O)N[C@@H](C(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta3


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50327742
PNG
(CHEMBL1257508 | {[2-(4-Guanidinomethyl[1,2,3]triaz...)
Show SMILES NC(N)=NCc1cn(CC(=O)N(CC(O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-20(19-18-10)8-12(22)21(9-13(23)24)11-4-2-1-3-5-11/h1-5,7H,6,8-9H2,(H,23,24)(H4,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human integrin alphaVbeta5


J Med Chem 53: 7119-28 (2010)


Article DOI: 10.1021/jm100754z
BindingDB Entry DOI: 10.7270/Q2R211NF
More data for this
Ligand-Target Pair
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