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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-3/beta-3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482402
PNG
(CHEMBL1209692)
Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O6/c26-20(24-16-3-1-14-10-23-11-15(14)7-16)5-6-21(27)25-17(9-22(28)29)13-2-4-18-19(8-13)31-12-30-18/h1-4,7-8,17,23H,5-6,9-12H2,(H,24,26)(H,25,27)(H,28,29)
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n/an/a 0.220n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482409
PNG
(CHEMBL1208912)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H25N3O6.ClH/c27-21(25-17-3-1-14-7-8-24-12-16(14)9-17)5-6-22(28)26-18(11-23(29)30)15-2-4-19-20(10-15)32-13-31-19;/h1-4,9-10,18,24H,5-8,11-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 0.400n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482414
PNG
(CHEMBL1208853)
Show SMILES Cl.COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C24H29N3O6.ClH/c1-32-20-6-4-16(12-21(20)33-2)19(13-24(30)31)27-23(29)8-7-22(28)26-18-5-3-15-9-10-25-14-17(15)11-18;/h3-6,11-12,19,25H,7-10,13-14H2,1-2H3,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 0.630n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323320
PNG
(3-(3,4-dimethoxyphenyl)-3-(3-(1,2,3,4-tetrahydrois...)
Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C28H29N3O6/c1-36-24-9-7-18(14-25(24)37-2)23(15-26(32)33)31-28(35)20-5-3-4-19(12-20)27(34)30-22-8-6-17-10-11-29-16-21(17)13-22/h3-9,12-14,23,29H,10-11,15-16H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482419
PNG
(CHEMBL1208980)
Show SMILES Cl.OC(=O)CC(NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H27N3O6.ClH/c28-22(26-18-6-4-15-8-9-25-13-17(15)10-18)2-1-3-23(29)27-19(12-24(30)31)16-5-7-20-21(11-16)33-14-32-20;/h4-7,10-11,19,25H,1-3,8-9,12-14H2,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 0.780n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323319
PNG
(3-(3-(carbamoyl)benzamido)-3-(4-methoxyphenyl)prop...)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C27H27N3O5/c1-35-23-9-6-18(7-10-23)24(15-25(31)32)30-27(34)20-4-2-3-19(13-20)26(33)29-22-8-5-17-11-12-28-16-21(17)14-22/h2-10,13-14,24,28H,11-12,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482412
PNG
(CHEMBL1208850)
Show SMILES Cl.Cc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C23H27N3O4.ClH/c1-15-2-4-17(5-3-15)20(13-23(29)30)26-22(28)9-8-21(27)25-19-7-6-16-10-11-24-14-18(16)12-19;/h2-7,12,20,24H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 0.900n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482404
PNG
(CHEMBL1209860)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-17-4-1-15(2-5-17)19(12-22(29)30)26-21(28)8-7-20(27)25-18-6-3-14-9-10-24-13-16(14)11-18;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 1n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323318
PNG
(3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...)
Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1
Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482403
PNG
(CHEMBL1209774)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccccc1
Show InChI InChI=1S/C22H25N3O4.ClH/c26-20(24-18-7-6-15-10-11-23-14-17(15)12-18)8-9-21(27)25-19(13-22(28)29)16-4-2-1-3-5-16;/h1-7,12,19,23H,8-11,13-14H2,(H,24,26)(H,25,27)(H,28,29);1H
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n/an/a 1n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482415
PNG
(CHEMBL1209773)
Show SMILES Cl.OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C16H21N3O4/c20-14(18-8-6-16(22)23)3-4-15(21)19-13-2-1-11-5-7-17-10-12(11)9-13/h1-2,9,17H,3-8,10H2,(H,18,20)(H,19,21)(H,22,23)
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n/an/a 1.20n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482400
PNG
(CHEMBL1209622)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C22H25N3O5/c1-30-18-6-3-14(4-7-18)19(11-22(28)29)25-21(27)9-8-20(26)24-17-5-2-15-12-23-13-16(15)10-17/h2-7,10,19,23H,8-9,11-13H2,1H3,(H,24,26)(H,25,27)(H,28,29)
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n/an/a 2.60n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482407
PNG
(CHEMBL1208851)
Show SMILES Cl.COc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C23H27N3O5.ClH/c1-31-19-6-3-16(4-7-19)20(13-23(29)30)26-22(28)9-8-21(27)25-18-5-2-15-10-11-24-14-17(15)12-18;/h2-7,12,20,24H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 3.5n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482411
PNG
(CHEMBL1208979)
Show SMILES Cl.COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C25H31N3O6.ClH/c1-33-21-9-7-17(13-22(21)34-2)20(14-25(31)32)28-24(30)5-3-4-23(29)27-19-8-6-16-10-11-26-15-18(16)12-19;/h6-9,12-13,20,26H,3-5,10-11,14-15H2,1-2H3,(H,27,29)(H,28,30)(H,31,32);1H
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n/an/a 5n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482416
PNG
(CHEMBL1209862)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccccc1F
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-18-4-2-1-3-17(18)19(12-22(29)30)26-21(28)8-7-20(27)25-16-6-5-14-9-10-24-13-15(14)11-16;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 5n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482401
PNG
(CHEMBL1209690)
Show SMILES CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C24H29N3O5/c1-15(2)32-20-7-4-16(5-8-20)21(12-24(30)31)27-23(29)10-9-22(28)26-19-6-3-17-13-25-14-18(17)11-19/h3-8,11,15,21,25H,9-10,12-14H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50155250
PNG
(3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...)
Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1
Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)
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n/an/a 8.30n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482404
PNG
(CHEMBL1209860)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-17-4-1-15(2-5-17)19(12-22(29)30)26-21(28)8-7-20(27)25-18-6-3-14-9-10-24-13-16(14)11-18;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482413
PNG
(CHEMBL1209691)
Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C23H27N3O6/c1-31-19-6-4-14(10-20(19)32-2)18(11-23(29)30)26-22(28)8-7-21(27)25-17-5-3-15-12-24-13-16(15)9-17/h3-6,9-10,18,24H,7-8,11-13H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323320
PNG
(3-(3,4-dimethoxyphenyl)-3-(3-(1,2,3,4-tetrahydrois...)
Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C28H29N3O6/c1-36-24-9-7-18(14-25(24)37-2)23(15-26(32)33)31-28(35)20-5-3-4-19(12-20)27(34)30-22-8-6-17-10-11-29-16-21(17)13-22/h3-9,12-14,23,29H,10-11,15-16H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
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n/an/a 12n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482403
PNG
(CHEMBL1209774)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccccc1
Show InChI InChI=1S/C22H25N3O4.ClH/c26-20(24-18-7-6-15-10-11-23-14-17(15)12-18)8-9-21(27)25-19(13-22(28)29)16-4-2-1-3-5-16;/h1-7,12,19,23H,8-11,13-14H2,(H,24,26)(H,25,27)(H,28,29);1H
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A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323319
PNG
(3-(3-(carbamoyl)benzamido)-3-(4-methoxyphenyl)prop...)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C27H27N3O5/c1-35-23-9-6-18(7-10-23)24(15-25(31)32)30-27(34)20-4-2-3-19(13-20)26(33)29-22-8-5-17-11-12-28-16-21(17)14-22/h2-10,13-14,24,28H,11-12,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32)
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n/an/a 17n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482410
PNG
(CHEMBL1208914)
Show SMILES Cl.COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C24H29N3O5.ClH/c1-32-20-9-6-17(7-10-20)21(14-24(30)31)27-23(29)4-2-3-22(28)26-19-8-5-16-11-12-25-15-18(16)13-19;/h5-10,13,21,25H,2-4,11-12,14-15H2,1H3,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 18n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50323318
PNG
(3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...)
Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1
Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/a 25n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482415
PNG
(CHEMBL1209773)
Show SMILES Cl.OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C16H21N3O4/c20-14(18-8-6-16(22)23)3-4-15(21)19-13-2-1-11-5-7-17-10-12(11)9-13/h1-2,9,17H,3-8,10H2,(H,18,20)(H,19,21)(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482402
PNG
(CHEMBL1209692)
Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O6/c26-20(24-16-3-1-14-10-23-11-15(14)7-16)5-6-21(27)25-17(9-22(28)29)13-2-4-18-19(8-13)31-12-30-18/h1-4,7-8,17,23H,5-6,9-12H2,(H,24,26)(H,25,27)(H,28,29)
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n/an/a 31n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482419
PNG
(CHEMBL1208980)
Show SMILES Cl.OC(=O)CC(NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H27N3O6.ClH/c28-22(26-18-6-4-15-8-9-25-13-17(15)10-18)2-1-3-23(29)27-19(12-24(30)31)16-5-7-20-21(11-16)33-14-32-20;/h4-7,10-11,19,25H,1-3,8-9,12-14H2,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 53n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482414
PNG
(CHEMBL1208853)
Show SMILES Cl.COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C24H29N3O6.ClH/c1-32-20-6-4-16(12-21(20)33-2)19(13-24(30)31)27-23(29)8-7-22(28)26-18-5-3-15-9-10-25-14-17(15)11-18;/h3-6,11-12,19,25H,7-10,13-14H2,1-2H3,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 64n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482406
PNG
(CHEMBL1209863)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O4.ClH/c23-17-4-1-15(2-5-17)19(12-22(29)30)26-21(28)8-7-20(27)25-18-6-3-14-9-10-24-13-16(14)11-18;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 65n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482408
PNG
(CHEMBL1208852)
Show SMILES Cl.CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C25H31N3O5.ClH/c1-16(2)33-21-7-4-18(5-8-21)22(14-25(31)32)28-24(30)10-9-23(29)27-20-6-3-17-11-12-26-15-19(17)13-20;/h3-8,13,16,22,26H,9-12,14-15H2,1-2H3,(H,27,29)(H,28,30)(H,31,32);1H
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n/an/a 87n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482409
PNG
(CHEMBL1208912)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H25N3O6.ClH/c27-21(25-17-3-1-14-7-8-24-12-16(14)9-17)5-6-22(28)26-18(11-23(29)30)15-2-4-19-20(10-15)32-13-31-19;/h1-4,9-10,18,24H,5-8,11-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 90n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482412
PNG
(CHEMBL1208850)
Show SMILES Cl.Cc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C23H27N3O4.ClH/c1-15-2-4-17(5-3-15)20(13-23(29)30)26-22(28)9-8-21(27)25-19-7-6-16-10-11-24-14-18(16)12-19;/h2-7,12,20,24H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)(H,29,30);1H
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A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482401
PNG
(CHEMBL1209690)
Show SMILES CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C24H29N3O5/c1-15(2)32-20-7-4-16(5-8-20)21(12-24(30)31)27-23(29)10-9-22(28)26-19-6-3-17-13-25-14-18(17)11-19/h3-8,11,15,21,25H,9-10,12-14H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
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n/an/a 105n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482411
PNG
(CHEMBL1208979)
Show SMILES Cl.COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C25H31N3O6.ClH/c1-33-21-9-7-17(13-22(21)34-2)20(14-25(31)32)28-24(30)5-3-4-23(29)27-19-8-6-16-10-11-26-15-18(16)12-19;/h6-9,12-13,20,26H,3-5,10-11,14-15H2,1-2H3,(H,27,29)(H,28,30)(H,31,32);1H
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A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482400
PNG
(CHEMBL1209622)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C22H25N3O5/c1-30-18-6-3-14(4-7-18)19(11-22(28)29)25-21(27)9-8-20(26)24-17-5-2-15-12-23-13-16(15)10-17/h2-7,10,19,23H,8-9,11-13H2,1H3,(H,24,26)(H,25,27)(H,28,29)
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n/an/a 160n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482407
PNG
(CHEMBL1208851)
Show SMILES Cl.COc1ccc(cc1)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C23H27N3O5.ClH/c1-31-19-6-3-16(4-7-19)20(13-23(29)30)26-22(28)9-8-21(27)25-18-5-2-15-10-11-24-14-17(15)12-18;/h2-7,12,20,24H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 310n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482418
PNG
(CHEMBL1208911)
Show SMILES Cl.CCOc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C25H31N3O6.ClH/c1-3-34-21-7-5-17(13-22(21)33-2)20(14-25(31)32)28-24(30)9-8-23(29)27-19-6-4-16-10-11-26-15-18(16)12-19;/h4-7,12-13,20,26H,3,8-11,14-15H2,1-2H3,(H,27,29)(H,28,30)(H,31,32);1H
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n/an/a 510n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482416
PNG
(CHEMBL1209862)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccccc1F
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-18-4-2-1-3-17(18)19(12-22(29)30)26-21(28)8-7-20(27)25-16-6-5-14-9-10-24-13-15(14)11-16;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 570n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50155250
PNG
(3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...)
Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1
Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)
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n/an/a 860n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482413
PNG
(CHEMBL1209691)
Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCC(=O)Nc1ccc2CNCc2c1
Show InChI InChI=1S/C23H27N3O6/c1-31-19-6-4-14(10-20(19)32-2)18(11-23(29)30)26-22(28)8-7-21(27)25-17-5-3-15-12-24-13-16(15)9-17/h3-6,9-10,18,24H,7-8,11-13H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
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n/an/a 890n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482405
PNG
(CHEMBL1209861)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-17-3-1-2-15(10-17)19(12-22(29)30)26-21(28)7-6-20(27)25-18-5-4-14-8-9-24-13-16(14)11-18;/h1-5,10-11,19,24H,6-9,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 1.10E+3n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482406
PNG
(CHEMBL1209863)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O4.ClH/c23-17-4-1-15(2-5-17)19(12-22(29)30)26-21(28)8-7-20(27)25-18-6-3-14-9-10-24-13-16(14)11-18;/h1-6,11,19,24H,7-10,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 2.00E+3n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482410
PNG
(CHEMBL1208914)
Show SMILES Cl.COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCC(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C24H29N3O5.ClH/c1-32-20-9-6-17(7-10-20)21(14-24(30)31)27-23(29)4-2-3-22(28)26-19-8-5-16-11-12-25-15-18(16)13-19;/h5-10,13,21,25H,2-4,11-12,14-15H2,1H3,(H,26,28)(H,27,29)(H,30,31);1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482417
PNG
(CHEMBL1208913)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O4.ClH/c30-24(28-20-9-8-17-12-13-27-16-19(17)14-20)10-11-25(31)29-23(15-26(32)33)22-7-3-5-18-4-1-2-6-21(18)22;/h1-9,14,23,27H,10-13,15-16H2,(H,28,30)(H,29,31)(H,32,33);1H
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n/an/a 5.20E+3n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50482405
PNG
(CHEMBL1209861)
Show SMILES Cl.OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CCNCc2c1)c1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O4.ClH/c23-17-3-1-2-15(10-17)19(12-22(29)30)26-21(28)7-6-20(27)25-18-5-4-14-8-9-24-13-16(14)11-18;/h1-5,10-11,19,24H,6-9,12-13H2,(H,25,27)(H,26,28)(H,29,30);1H
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n/an/a 1.00E+4n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair
Integrin alpha-3/beta-3


(Homo sapiens (Human))
BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma


Bioorg Med Chem Lett 20: 4444-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.051
BindingDB Entry DOI: 10.7270/Q2H134T5
More data for this
Ligand-Target Pair