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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-3' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-2/beta-3


(Homo sapiens-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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50370766
PNG
(CHEMBL385939)
Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C28H28N4O8/c1-39-24-6-4-17(13-25(24)40-2)23(14-26(33)34)31-28(36)19-9-18(11-22(12-19)32(37)38)27(35)30-21-5-3-16-7-8-29-15-20(16)10-21/h3-6,9-13,23,29H,7-8,14-15H2,1-2H3,(H,30,35)(H,31,36)(H,33,34)
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n/an/a 3.70n/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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50370765
PNG
(CHEMBL219051)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C27H26N4O7/c1-38-23-6-3-17(4-7-23)24(14-25(32)33)30-27(35)19-10-18(12-22(13-19)31(36)37)26(34)29-21-5-2-16-8-9-28-15-20(16)11-21/h2-7,10-13,24,28H,8-9,14-15H2,1H3,(H,29,34)(H,30,35)(H,32,33)
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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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354350
PNG
(CHEMBL1836344)
Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O
Show InChI InChI=1S/C20H27N3O4/c24-18(3-1-2-14-6-9-21-10-7-14)22-16-5-4-15-13-23(11-8-19(25)26)20(27)17(15)12-16/h4-5,12,14,21H,1-3,6-11,13H2,(H,22,24)(H,25,26)
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n/an/a 5.5n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124560
PNG
(CHEMBL3623706)
Show SMILES Cl.OC(=O)[C@H](CNC(=O)CCNC(=O)c1ccc2CCNCc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C22H26N4O6S.ClH/c27-20(9-11-24-21(28)16-7-6-15-8-10-23-13-17(15)12-16)25-14-19(22(29)30)26-33(31,32)18-4-2-1-3-5-18;/h1-7,12,19,23,26H,8-11,13-14H2,(H,24,28)(H,25,27)(H,29,30);1H/t19-;/s2
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n/an/a 6.20n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354355
PNG
(CHEMBL1836351)
Show SMILES CC(CC(O)=O)N1Cc2ccc(NC(=O)c3ccc4CCNCc4c3)cc2C1=O
Show InChI InChI=1S/C22H23N3O4/c1-13(8-20(26)27)25-12-16-4-5-18(10-19(16)22(25)29)24-21(28)15-3-2-14-6-7-23-11-17(14)9-15/h2-5,9-10,13,23H,6-8,11-12H2,1H3,(H,24,28)(H,26,27)
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n/an/a 6.5n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354352
PNG
(CHEMBL1836347)
Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)c3ccc4CCNCc4c3)cc2C1=O
Show InChI InChI=1S/C21H21N3O4/c25-19(26)6-8-24-12-15-3-4-17(10-18(15)21(24)28)23-20(27)14-2-1-13-5-7-22-11-16(13)9-14/h1-4,9-10,22H,5-8,11-12H2,(H,23,27)(H,25,26)
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n/an/a 6.5n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354351
PNG
(CHEMBL1836345)
Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C23H25N3O4/c27-21(28)9-12-26-14-18-5-6-19(13-20(18)23(26)30)25-22(29)17-3-1-15(2-4-17)16-7-10-24-11-8-16/h1-6,13,16,24H,7-12,14H2,(H,25,29)(H,27,28)
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n/an/a 6.80n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50370769
PNG
(CHEMBL218200)
Show SMILES OC(=O)CC(NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1
Show InChI InChI=1S/C26H24N4O6/c31-24(32)14-23(17-4-2-1-3-5-17)29-26(34)19-10-18(12-22(13-19)30(35)36)25(33)28-21-7-6-16-8-9-27-15-20(16)11-21/h1-7,10-13,23,27H,8-9,14-15H2,(H,28,33)(H,29,34)(H,31,32)
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n/an/a 8n/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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50370768
PNG
(CHEMBL219603)
Show SMILES OC(=O)CCNC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C20H21N3O4/c24-18(25)7-9-22-19(26)14-2-1-3-15(10-14)20(27)23-17-5-4-13-6-8-21-12-16(13)11-17/h1-5,10-11,21H,6-9,12H2,(H,22,26)(H,23,27)(H,24,25)
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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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124522
PNG
(CHEMBL3623709)
Show SMILES Cl.Cl.NCCCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1
Show InChI InChI=1S/C16H22N6O2.2ClH/c17-5-1-2-14(23)19-11-3-4-13-12(10-11)15(24)21-16(20-13)22-8-6-18-7-9-22;;/h3-4,10,18H,1-2,5-9,17H2,(H,19,23)(H,20,21,24);2*1H
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n/an/a 11n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio...


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354356
PNG
(CHEMBL1836355)
Show SMILES OC(=O)CCNC(=O)CCNC(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C16H21N3O4/c20-14(18-8-5-15(21)22)4-7-19-16(23)12-2-1-11-3-6-17-10-13(11)9-12/h1-2,9,17H,3-8,10H2,(H,18,20)(H,19,23)(H,21,22)
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n/an/a 22n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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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 integrin alpha2beta3-mediated aggregation in ADP-stimulated human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124559
PNG
(CHEMBL3623707)
Show SMILES Cl.OC(=O)[C@@H](CNC(=O)CCNC(=O)c1ccc2CCNCc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C22H26N4O6S.ClH/c27-20(9-11-24-21(28)16-7-6-15-8-10-23-13-17(15)12-16)25-14-19(22(29)30)26-33(31,32)18-4-2-1-3-5-18;/h1-7,12,19,23,26H,8-11,13-14H2,(H,24,28)(H,25,27)(H,29,30);1H/t19-;/s2
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n/an/a 25n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50370767
PNG
(CHEMBL218226)
Show SMILES OC(=O)CCNC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C20H20N4O6/c25-18(26)4-6-22-19(27)13-7-14(10-17(9-13)24(29)30)20(28)23-16-2-1-12-3-5-21-11-15(12)8-16/h1-2,7-10,21H,3-6,11H2,(H,22,27)(H,23,28)(H,25,26)
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n/an/a 32n/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
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio...


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354354
PNG
(CHEMBL1836350)
Show SMILES CC(CC(O)=O)N1Cc2ccc(NC(=O)c3ccc(cc3)N3CCNCC3)cc2C1=O
Show InChI InChI=1S/C23H26N4O4/c1-15(12-21(28)29)27-14-17-2-5-18(13-20(17)23(27)31)25-22(30)16-3-6-19(7-4-16)26-10-8-24-9-11-26/h2-7,13,15,24H,8-12,14H2,1H3,(H,25,30)(H,28,29)
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n/an/a 37n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124573
PNG
(CHEMBL1472460)
Show SMILES NCC(=O)Nc1cccc(c1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)
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n/an/a 96n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124510
PNG
(CHEMBL3623710)
Show SMILES Cl.Cl.O=C(Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1)C1CCNCC1
Show InChI InChI=1S/C18H24N6O2.2ClH/c25-16(12-3-5-19-6-4-12)21-13-1-2-15-14(11-13)17(26)23-18(22-15)24-9-7-20-8-10-24;;/h1-2,11-12,19-20H,3-10H2,(H,21,25)(H,22,23,26);2*1H
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A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio...


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124558
PNG
(CHEMBL3623708)
Show SMILES Cl.Cl.NCCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1
Show InChI InChI=1S/C15H20N6O2.2ClH/c16-4-3-13(22)18-10-1-2-12-11(9-10)14(23)20-15(19-12)21-7-5-17-6-8-21;;/h1-2,9,17H,3-8,16H2,(H,18,22)(H,19,20,23);2*1H
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A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio...


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354348
PNG
(CHEMBL1836342)
Show SMILES OC(=O)CN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C22H23N3O4/c26-20(27)13-25-12-17-5-6-18(11-19(17)22(25)29)24-21(28)16-3-1-14(2-4-16)15-7-9-23-10-8-15/h1-6,11,15,23H,7-10,12-13H2,(H,24,28)(H,26,27)
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n/an/a 270n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124571
PNG
(CHEMBL3623501)
Show SMILES Cl.CCCCS(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1ccc2CCNCc2c1)C(O)=O
Show InChI InChI=1/C20H30N4O6S.ClH/c1-2-3-10-31(29,30)24-17(20(27)28)13-23-18(25)7-9-22-19(26)15-5-4-14-6-8-21-12-16(14)11-15;/h4-5,11,17,21,24H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,25)(H,27,28);1H/t17-;/s2
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A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354353
PNG
(CHEMBL1836348)
Show SMILES CC(CC(O)=O)N1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O
Show InChI InChI=1S/C21H29N3O4/c1-14(11-20(26)27)24-13-16-5-6-17(12-18(16)21(24)28)23-19(25)4-2-3-15-7-9-22-10-8-15/h5-6,12,14-15,22H,2-4,7-11,13H2,1H3,(H,23,25)(H,26,27)
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n/an/a 350n/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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124561
PNG
(CHEMBL3621231)
Show SMILES Cl.CCCCS(=O)(=O)N[C@H](CNC(=O)CCNC(=O)c1ccc2CCNCc2c1)C(O)=O
Show InChI InChI=1/C20H30N4O6S.ClH/c1-2-3-10-31(29,30)24-17(20(27)28)13-23-18(25)7-9-22-19(26)15-5-4-14-6-8-21-12-16(14)11-15;/h4-5,11,17,21,24H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,25)(H,27,28);1H/t17-;/s2
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A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50354349
PNG
(CHEMBL1836343)
Show SMILES OC(=O)CN1Cc2ccc(NC(=O)c3ccc4CCNCc4c3)cc2C1=O
Show InChI InChI=1S/C20H19N3O4/c24-18(25)11-23-10-14-3-4-16(8-17(14)20(23)27)22-19(26)13-2-1-12-5-6-21-9-15(12)7-13/h1-4,7-8,21H,5-6,9-11H2,(H,22,26)(H,24,25)
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n/an/a 1.20E+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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-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
Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens-Homo sapiens (human))
BDBM50124572
PNG
(CHEMBL1234739)
Show SMILES CCc1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma


J Med Chem 58: 7681-94 (2015)

More data for this
Ligand-Target Pair