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PubMed code 16509596

Compile data set for download or QSAR
Found 29 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/ITGB5


(Homo sapiens (Human))
BDBM50237601
PNG
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/s2
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n/an/a 0.110n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/s2
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n/an/a 0.130n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183594
PNG
(CHEMBL203693 | c[RGDf-(S)-alpha-TfmV])
Show SMILES CC(C)[C@@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183587
PNG
(CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)C(Cc2ccccc2)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)F
Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183582
PNG
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])
Show SMILES CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@]1(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183593
PNG
(CHEMBL379056 | c[RGD-(S)-alpha-TfmfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@](Cc2ccccc2)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/m0/s1
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n/an/a 10.0n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183590
PNG
(CHEMBL380434 | c(RGDfF))
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1
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n/an/a 10.3n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183590
PNG
(CHEMBL380434 | c(RGDfF))
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1
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n/an/a 15.7n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183582
PNG
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])
Show SMILES CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@]1(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1
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n/an/a 18.8n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/s2
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n/an/a 18.9n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183585
PNG
(CHEMBL383747 | c(RGDfMeF))
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1
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n/an/a 19.8n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183585
PNG
(CHEMBL383747 | c(RGDfMeF))
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1
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n/an/a 19.8n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183592
PNG
(CHEMBL204309 | c[RGDf-(S)-alpha-TfmF])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@](Cc2ccccc2)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30-/m0/s1
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n/an/a 35.5n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183594
PNG
(CHEMBL203693 | c[RGDf-(S)-alpha-TfmV])
Show SMILES CC(C)[C@@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/m0/s1
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n/an/a 36.3n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183584
PNG
(CHEMBL203077 | c[RGDf-(R)-alpha-TfmV])
Show SMILES CC(C)[C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/m0/s1
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n/an/a 42.8n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183591
PNG
(CHEMBL377066 | c[RGD-(R)-alpha-TfmfV])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@](Cc2ccccc2)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-21(14-18-8-3-1-4-9-18)26(47)40-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)27(48)42-30/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21-,22-,30+/m0/s1
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n/an/a 72.7n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183589
PNG
(CHEMBL381589 | c[RGDf-(R)-alpha-TfmF])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@](Cc2ccccc2)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30+/m0/s1
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n/an/a 93.5n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183586
PNG
(CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF])
Show SMILES CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@]1(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/m0/s1
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n/an/a 93.9n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50237601
PNG
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/s2
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n/an/a 196n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183593
PNG
(CHEMBL379056 | c[RGD-(S)-alpha-TfmfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@](Cc2ccccc2)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/m0/s1
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n/an/a 237n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183584
PNG
(CHEMBL203077 | c[RGDf-(R)-alpha-TfmV])
Show SMILES CC(C)[C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/m0/s1
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n/an/a 285n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183587
PNG
(CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)C(Cc2ccccc2)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)F
Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/m0/s1
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n/an/a 332n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183586
PNG
(CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF])
Show SMILES CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@]1(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/m0/s1
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n/an/a 704n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183583
PNG
(CHEMBL409143 | c[RG-(S)-alpha-TfmDfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@](CC(O)=O)(NCCNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183583
PNG
(CHEMBL409143 | c[RG-(S)-alpha-TfmDfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@](CC(O)=O)(NCCNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1
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Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50183588
PNG
(CHEMBL203930 | c[RG-(R)-alpha-TfmDfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@](CC(O)=O)(NCCNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26+/m0/s1
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Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183588
PNG
(CHEMBL203930 | c[RG-(R)-alpha-TfmDfV])
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@](CC(O)=O)(NCCNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(F)(F)F
Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26+/m0/s1
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Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183591
PNG
(CHEMBL377066 | c[RGD-(R)-alpha-TfmfV])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@](Cc2ccccc2)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-21(14-18-8-3-1-4-9-18)26(47)40-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)27(48)42-30/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21-,22-,30+/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50183589
PNG
(CHEMBL381589 | c[RGDf-(R)-alpha-TfmF])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@](Cc2ccccc2)(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30+/m0/s1
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n/an/a 7.24E+3n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%