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PubMed code 16854058

Compile data set for download or QSAR
Found 8 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
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191290
PNG
(3-((5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl...)
Show SMILES COc1cc(Cl)c(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC
Show InChI InChI=1S/C20H17ClN2O5S/c1-23-18(24)17(9-12-8-15(27-2)16(28-3)10-14(12)21)29-20(23)22-13-6-4-5-11(7-13)19(25)26/h4-10H,1-3H3,(H,25,26)/b17-9-,22-20+
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Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191295
PNG
(3-(2-((1-(2-(p-toluidino)-2-oxoethyl)-2,5-dioxoimi...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13-
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PubMed
n/an/a 18n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191293
PNG
(5-(4-(dimethylamino)benzylidene)-2-(4-ethoxyphenyl...)
Show SMILES CCOc1ccc(cc1)\N=C1\S\C(=C/c2ccc(cc2)N(C)C)C(=O)N1CC
Show InChI InChI=1S/C22H25N3O2S/c1-5-25-21(26)20(15-16-7-11-18(12-8-16)24(3)4)28-22(25)23-17-9-13-19(14-10-17)27-6-2/h7-15H,5-6H2,1-4H3/b20-15-,23-22+
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PubMed
n/an/a 24n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191292
PNG
(2-(4-(3-(2-amino-4-hydroxypteridin-6-yl)propylamin...)
Show SMILES Nc1nc2ncc(CCCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C21H23N7O6/c22-21-27-17-16(19(32)28-21)25-13(10-24-17)2-1-9-23-12-5-3-11(4-6-12)18(31)26-14(20(33)34)7-8-15(29)30/h3-6,10,14,23H,1-2,7-9H2,(H,26,31)(H,29,30)(H,33,34)(H3,22,24,27,28,32)
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PubMed
n/an/a 52n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191296
PNG
(4-((5-(3-ethoxy-4-hydroxybenzylidene)-3-methyl-4-o...)
Show SMILES CCOc1cc(\C=C2\S\C(=N/c3ccc(cc3)C(O)=O)N(C)C2=O)ccc1O
Show InChI InChI=1S/C20H18N2O5S/c1-3-27-16-10-12(4-9-15(16)23)11-17-18(24)22(2)20(28-17)21-14-7-5-13(6-8-14)19(25)26/h4-11,23H,3H2,1-2H3,(H,25,26)/b17-11+,21-20-
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PubMed
n/an/a 240n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191294
PNG
(5-(5-(furan-2-yl)-3-(4-(methylsulfonamido)phenyl)-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCCC(O)=O
Show InChI InChI=1S/C19H21N3O6S/c1-29(26,27)21-14-9-7-13(8-10-14)15-12-16(17-4-3-11-28-17)22(20-15)18(23)5-2-6-19(24)25/h3-4,7-11,16,21H,2,5-6,12H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 605n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191291
PNG
(5-(4-(dimethylamino)benzylidene)-2-(4-hydroxypheny...)
Show SMILES CN(C)c1ccc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc1
Show InChI InChI=1S/C18H17N3O2S/c1-21(2)14-7-3-12(4-8-14)11-16-17(23)20-18(24-16)19-13-5-9-15(22)10-6-13/h3-11,22H,1-2H3,(H,19,20,23)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50191298
PNG
(3-(5-{[6-(4-fluoro-phenylamino)-[1,2,5]oxadiazolo[...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc3nonc3nc2Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C22H14FN7O4/c23-14-4-6-15(7-5-14)25-18-19(27-21-20(26-18)29-34-30-21)28-24-11-16-8-9-17(33-16)12-2-1-3-13(10-12)22(31)32/h1-10H,11H2,(H,31,32)(H,25,26,29)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor


J Med Chem 49: 4526-34 (2006)


Article DOI: 10.1021/jm051296s
BindingDB Entry DOI: 10.7270/Q2KW5H73
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%