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Compile Data Set for Download or QSAR

Found 11 hits of ec50 for UniProtKB: P05106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50332898
PNG
(2-(benzo[d]thiazol-2-yl)-5-((4-chlorophenylthio)me...)
Show SMILES Clc1ccc(SCc2[nH]n(-c3nc4ccccc4s3)c(=O)c2C=NCc2ccco2)cc1
Show InChI InChI=1S/C23H17ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,27H,12,14H2
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n/an/an/an/a 1.30n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50332896
PNG
(CHEMBL1630982 | rac-N-(benzo[d][1,3]dioxol-5-ylmet...)
Show SMILES O=C(NCc1ccc2OCOc2c1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C26H23N3O5S/c30-26(28-16-19-11-12-22-23(15-19)34-17-33-22)21(14-18-6-2-1-3-7-18)29-35(31,32)24-10-4-8-20-9-5-13-27-25(20)24/h1-13,15,21,29H,14,16-17H2,(H,28,30)
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n/an/an/an/a 1.60n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50332897
PNG
(CHEMBL1631618 | rac-2-(benzo[c][1,2,5]thiadiazole-...)
Show SMILES O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C20H18N4O3S3/c25-20(21-13-15-7-4-10-28-15)19(11-14-5-2-1-3-6-14)24-30(26,27)16-8-9-17-18(12-16)23-29-22-17/h1-10,12,19,24H,11,13H2,(H,21,25)
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n/an/an/an/a 2.5n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365354
PNG
(CHEMBL1956150)
Show SMILES OP(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H30N3O6PS/c26-22(18-6-8-19(9-7-18)31-15-12-17-10-13-23-14-11-17)24-16-21(32(27)28)25-33(29,30)20-4-2-1-3-5-20/h1-9,17,21,23,25,32H,10-16H2,(H,24,26)(H,27,28)/t21-/m1/s1
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n/an/an/an/a 7.80n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a 11n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(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/an/an/a 13.6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365350
PNG
(CHEMBL1956154)
Show SMILES COP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H32N3O7PS/c1-32-34(28,29)22(26-35(30,31)21-5-3-2-4-6-21)17-25-23(27)19-7-9-20(10-8-19)33-16-13-18-11-14-24-15-12-18/h2-10,18,22,24,26H,11-17H2,1H3,(H,25,27)(H,28,29)/t22-/m1/s1
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n/an/an/an/a 40.8n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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n/an/an/an/a 55n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365352
PNG
(CHEMBL1956152)
Show SMILES OP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H30N3O7PS/c26-22(18-6-8-19(9-7-18)32-15-12-17-10-13-23-14-11-17)24-16-21(33(27,28)29)25-34(30,31)20-4-2-1-3-5-20/h1-9,17,21,23,25H,10-16H2,(H,24,26)(H2,27,28,29)/t21-/m1/s1
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n/an/an/an/a 276n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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n/an/an/an/a 1.04E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Cell adhesion via integrin alphaIIb-beta3 expressed in CHO cells to fibrinogen


Bioorg Med Chem Lett 14: 657-61 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.045
BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair