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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'sparta' and Initial = 'a'   
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-V/beta-3


(Homo sapiens (Human))
BDBM50204825
PNG
(AcDRGDS | CHEMBL241297)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#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
Show InChI InChI=1S/C21H34N8O12/c1-9(31)26-11(5-15(33)34)18(38)28-10(3-2-4-24-21(22)23)17(37)25-7-14(32)27-12(6-16(35)36)19(39)29-13(8-30)20(40)41/h10-13,30H,2-8H2,1H3,(H,25,37)(H,26,31)(H,27,32)(H,28,38)(H,29,39)(H,33,34)(H,35,36)(H,40,41)(H4,22,23,24)/t10-,11-,12-,13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204820
PNG
((S)-N-benzyl-3-{[(R)-1-(4-guanidino-butyryl)-pyrro...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C21H30N6O5/c22-21(23)24-10-4-9-17(28)27-11-5-8-16(27)20(32)26-15(12-18(29)30)19(31)25-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,25,31)(H,26,32)(H,29,30)(H4,22,23,24)/t15-,16+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204824
PNG
((S)-4-benzylcarbamoyl-4-{[(R)-1-(3-guanidino-propi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C21H30N6O5/c22-21(23)24-11-10-17(28)27-12-4-7-16(27)20(32)26-15(8-9-18(29)30)19(31)25-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,25,31)(H,26,32)(H,29,30)(H4,22,23,24)/t15-,16+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204822
PNG
((S)-N-benzyl-3-({(R)-1-[(S)-5-guanidino-2-(toluene...)
Show SMILES [#6]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C29H39N7O7S/c1-19-11-13-21(14-12-19)44(42,43)35-22(9-5-15-32-29(30)31)28(41)36-16-6-10-24(36)27(40)34-23(17-25(37)38)26(39)33-18-20-7-3-2-4-8-20/h2-4,7-8,11-14,22-24,35H,5-6,9-10,15-18H2,1H3,(H,33,39)(H,34,40)(H,37,38)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204827
PNG
(3-{[(R)-1-(4-guanidino-butyryl)-pyrrolidine-2-carb...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C13H23N5O4/c14-13(15)17-6-1-4-10(19)18-8-2-3-9(18)12(22)16-7-5-11(20)21/h9H,1-8H2,(H,16,22)(H,20,21)(H4,14,15,17)/t9-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204828
PNG
((S)-4-benzylcarbamoyl-4-{[(R)-1-(4-guanidino-butyr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C22H32N6O5/c23-22(24)25-12-4-9-18(29)28-13-5-8-17(28)21(33)27-16(10-11-19(30)31)20(32)26-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,26,32)(H,27,33)(H,30,31)(H4,23,24,25)/t16-,17+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204826
PNG
((S)-3-{[(R)-1-(4-guanidino-butyryl)-pyrrolidine-2-...)
Show SMILES [#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C17H30N6O5/c1-2-7-20-15(27)11(10-14(25)26)22-16(28)12-5-4-9-23(12)13(24)6-3-8-21-17(18)19/h11-12H,2-10H2,1H3,(H,20,27)(H,22,28)(H,25,26)(H4,18,19,21)/t11-,12+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204821
PNG
((S)-N-benzyl-3-{[(R)-1-(3-guanidino-propionyl)-pyr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C20H28N6O5/c21-20(22)23-9-8-16(27)26-10-4-7-15(26)19(31)25-14(11-17(28)29)18(30)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,24,30)(H,25,31)(H,28,29)(H4,21,22,23)/t14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204823
PNG
((S)-N-benzyl-3-({(S)-1-[(S)-5-guanidino-2-(toluene...)
Show SMILES [#6]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C29H39N7O7S/c1-19-11-13-21(14-12-19)44(42,43)35-22(9-5-15-32-29(30)31)28(41)36-16-6-10-24(36)27(40)34-23(17-25(37)38)26(39)33-18-20-7-3-2-4-8-20/h2-4,7-8,11-14,22-24,35H,5-6,9-10,15-18H2,1H3,(H,33,39)(H,34,40)(H,37,38)(H4,30,31,32)/t22-,23-,24-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50204819
PNG
((S)-N-benzyl-3-{[(R)-1-(5-guanidino-pentanoyl)-pyr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C22H32N6O5/c23-22(24)25-11-5-4-10-18(29)28-12-6-9-17(28)21(33)27-16(13-19(30)31)20(32)26-14-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,26,32)(H,27,33)(H,30,31)(H4,23,24,25)/t16-,17+/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair