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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 324.3
BDBM50141312
Wt: 352.3
BDBM50141316
Wt: 328.3
BDBM50141318
Wt: 326.3
BDBM50141320
Wt: 364.3
BDBM50141322
Wt: 338.3
BDBM50141323
Wt: 378.4
BDBM50141327
Wt: 338.3
BDBM50141330
Wt: 358.3
BDBM50141331
Wt: 342.3
BDBM50141342
Wt: 358.7
BDBM50141344
Wt: 370.4
BDBM50209132
Wt: 328.4
BDBM50209119
Wt: 352.4
BDBM50209121
Wt: 326.3
BDBM50209130
Displayed 1 to 15 (of 109 total )  |  Next  |  Last  >>

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

Found 82 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/ITGB3


(Homo sapiens (Human))
BDBM50141327
PNG
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)
Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1
Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24)
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PubMed
n/an/a 0.460n/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))
BDBM50209132
PNG
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1
Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)
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n/an/a 0.5n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 0.600n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 0.600n/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/ITGB5


(Homo sapiens (Human))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
PDB
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n/an/a 1.40n/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))
BDBM50141327
PNG
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)
Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1
Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24)
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n/an/a 1.70n/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))
BDBM50141322
PNG
(3-{4-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-b...)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1
Show InChI InChI=1S/C20H20N4O3/c25-18(26)10-7-14-5-8-16(9-6-14)23-19(27)15-3-1-4-17(13-15)24-20-21-11-2-12-22-20/h1,3-10,13H,2,11-12H2,(H,23,27)(H,25,26)(H2,21,22,24)
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n/an/a 1.80n/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))
BDBM50141322
PNG
(3-{4-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-b...)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1
Show InChI InChI=1S/C20H20N4O3/c25-18(26)10-7-14-5-8-16(9-6-14)23-19(27)15-3-1-4-17(13-15)24-20-21-11-2-12-22-20/h1,3-10,13H,2,11-12H2,(H,23,27)(H,25,26)(H2,21,22,24)
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n/an/a 2n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 3n/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/ITGB5


(Homo sapiens (Human))
BDBM50209132
PNG
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1
Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)
PDB
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n/an/a 3n/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))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES COc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1OCC(O)=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 3.20n/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))
BDBM50141344
PNG
(3-[3-Chloro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1Cl
Show InChI InChI=1S/C17H15ClN4O3/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 3.5n/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))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES COc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1OCC(O)=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 4.30n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
PDB
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n/an/a 4.40n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 5n/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))
BDBM50141344
PNG
(3-[3-Chloro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1Cl
Show InChI InChI=1S/C17H15ClN4O3/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 5.90n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 6n/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
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/ITGB5


(Homo sapiens (Human))
BDBM50141322
PNG
(3-{4-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-b...)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1
Show InChI InChI=1S/C20H20N4O3/c25-18(26)10-7-14-5-8-16(9-6-14)23-19(27)15-3-1-4-17(13-15)24-20-21-11-2-12-22-20/h1,3-10,13H,2,11-12H2,(H,23,27)(H,25,26)(H2,21,22,24)
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n/an/a 7.60n/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))
BDBM50141327
PNG
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)
Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1
Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24)
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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 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 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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141344
PNG
(3-[3-Chloro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1Cl
Show InChI InChI=1S/C17H15ClN4O3/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 11n/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))
BDBM50209132
PNG
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1
Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)
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n/an/a 11n/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/ITGB1


(Homo sapiens (Human))
BDBM50209132
PNG
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1
Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)
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n/an/a 11n/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/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))
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))
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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 16n/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))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 16n/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))
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))
BDBM50209130
PNG
(2-[4-[3-(2-pyridinylamino)propoxy]phenyl]cycloprop...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H22N2O3/c22-19(23)13-15-12-17(15)14-5-7-16(8-6-14)24-11-3-10-21-18-4-1-2-9-20-18/h1-2,4-9,15,17H,3,10-13H2,(H,20,21)(H,22,23)
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n/an/a 19n/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))
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))
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))
BDBM50141316
PNG
(3-[4-(3-Guanidino-benzoylamino)-3,5-dimethyl-pheny...)
Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(c1)N=C(N)N
Show InChI InChI=1S/C19H20N4O3/c1-11-8-13(6-7-16(24)25)9-12(2)17(11)23-18(26)14-4-3-5-15(10-14)22-19(20)21/h3-10H,1-2H3,(H,23,26)(H,24,25)(H4,20,21,22)
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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-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 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))
BDBM50141316
PNG
(3-[4-(3-Guanidino-benzoylamino)-3,5-dimethyl-pheny...)
Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(c1)N=C(N)N
Show InChI InChI=1S/C19H20N4O3/c1-11-8-13(6-7-16(24)25)9-12(2)17(11)23-18(26)14-4-3-5-15(10-14)22-19(20)21/h3-10H,1-2H3,(H,23,26)(H,24,25)(H4,20,21,22)
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n/an/a 23n/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))
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/ITGB5


(Homo sapiens (Human))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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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/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/ITGB3


(Homo sapiens (Human))
BDBM50209130
PNG
(2-[4-[3-(2-pyridinylamino)propoxy]phenyl]cycloprop...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCCNc2ccccn2)cc1
Show InChI InChI=1S/C19H22N2O3/c22-19(23)13-15-12-17(15)14-5-7-16(8-6-14)24-11-3-10-21-18-4-1-2-9-20-18/h1-2,4-9,15,17H,3,10-13H2,(H,20,21)(H,22,23)
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n/an/a 42n/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/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/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES COc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1OCC(O)=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
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n/an/a 54n/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))
BDBM50141344
PNG
(3-[3-Chloro-4-(3-guanidino-benzoylamino)-phenyl]-a...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(C=CC(O)=O)cc1Cl
Show InChI InChI=1S/C17H15ClN4O3/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 60n/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))
BDBM50141327
PNG
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)
Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1
Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24)
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n/an/a 60n/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
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