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PubMed code 21852128

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens (Human))		BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
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

Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%