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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-5' AND taxid = 9606   
Target
(Institution)
LigandTarget
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-5


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276748
PNG
(CHEMBL460012 | [(1R,3S,9S,11S,14R)-9-(3-Guanidino-...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)N[C@@H]2CCC[C@@H]3CC[C@H](N3C2=O)C1=O
Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12+,13-,14+,15+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277112
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1cccnc1
Show InChI InChI=1S/C27H25N5O4/c33-24(34)15-22(18-4-2-10-28-16-18)31-13-9-17-14-19(7-8-20(17)26(31)35)36-23-6-1-5-21-25(23)30-27-29-11-3-12-32(21)27/h1-2,4-8,10,14,16,22H,3,9,11-13,15H2,(H,29,30)(H,33,34)
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n/an/a 1n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277111
PNG
(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H26N4O6/c34-26(35)15-22(18-5-8-23-25(14-18)38-16-37-23)32-12-9-17-13-19(6-7-20(17)28(32)36)39-24-4-1-3-21-27(24)31-29-30-10-2-11-33(21)29/h1,3-8,13-14,22H,2,9-12,15-16H2,(H,30,31)(H,34,35)
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n/an/a 2n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277112
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1cccnc1
Show InChI InChI=1S/C27H25N5O4/c33-24(34)15-22(18-4-2-10-28-16-18)31-13-9-17-14-19(7-8-20(17)26(31)35)36-23-6-1-5-21-25(23)30-27-29-11-3-12-32(21)27/h1-2,4-8,10,14,16,22H,3,9,11-13,15H2,(H,29,30)(H,33,34)
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n/an/a 5n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276748
PNG
(CHEMBL460012 | [(1R,3S,9S,11S,14R)-9-(3-Guanidino-...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)N[C@@H]2CCC[C@@H]3CC[C@H](N3C2=O)C1=O
Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12+,13-,14+,15+/m1/s1
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n/an/a 5.64n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277098
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CCN1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O
Show InChI InChI=1S/C22H22N4O4/c27-19(28)8-12-25-11-7-14-13-15(5-6-16(14)21(25)29)30-18-4-1-3-17-20(18)24-22-23-9-2-10-26(17)22/h1,3-6,13H,2,7-12H2,(H,23,24)(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296598
PNG
((R)-2-(2,4-dichlorophenylsulfonamido)-3-(thiophene...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccsc1)NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N2O5S2/c15-9-1-2-12(10(16)5-9)25(22,23)18-11(14(20)21)6-17-13(19)8-3-4-24-7-8/h1-5,7,11,18H,6H2,(H,17,19)(H,20,21)/t11-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265535
PNG
(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)CCC(NC(=O)COCCOCCOCCN)C(=O)NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C89H137N25O24S/c1-50(2)39-64(85(132)108-59(77(92)124)28-38-139-6)110-87(134)67(42-55-45-95-49-102-55)107-73(120)47-101-88(135)76(51(3)4)114-78(125)52(5)103-84(131)66(41-54-44-99-58-16-10-9-15-57(54)58)112-83(130)63(24-26-69(91)116)104-71(118)19-8-7-12-30-96-70(117)27-25-62(106-74(121)48-138-37-36-137-35-34-136-33-29-90)79(126)97-31-13-11-17-61-82(129)111-65(40-53-20-22-56(115)23-21-53)86(133)113-68(43-75(122)123)80(127)100-46-72(119)105-60(81(128)109-61)18-14-32-98-89(93)94/h9-10,15-16,20-23,44-45,49-52,59-68,76,99,115H,7-8,11-14,17-19,24-43,46-48,90H2,1-6H3,(H2,91,116)(H2,92,124)(H,95,102)(H,96,117)(H,97,126)(H,100,127)(H,101,135)(H,103,131)(H,104,118)(H,105,119)(H,106,121)(H,107,120)(H,108,132)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,133)(H,114,125)(H,122,123)(H4,93,94,98)/t52-,59+,60+,61+,62?,63-,64-,65-,66+,67+,68+,76+/m0/s1
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n/an/a 10.8n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296610
PNG
((R)-3-(1-methyl-1H-pyrazole-5-carboxamido)-2-(2,4,...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccnn1C)C(O)=O
Show InChI InChI=1S/C17H22N4O5S/c1-10-7-11(2)15(12(3)8-10)27(25,26)20-13(17(23)24)9-18-16(22)14-5-6-19-21(14)4/h5-8,13,20H,9H2,1-4H3,(H,18,22)(H,23,24)/t13-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265534
PNG
(2-((2R,8R,11R,14S)-11-(4-aminobutyl)-8-(3-guanidin...)
Show SMILES NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-25(43)35-19(12-15-6-8-16(37)9-7-15)26(44)36-20(13-22(39)40)23(41)32-14-21(38)33-17(24(42)34-18)5-3-11-31-27(29)30/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m1/s1
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n/an/a 11.2n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265536
PNG
(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)CCC(NC(=O)COCCOCCOCCNC(=O)c1ccc(F)cc1)C(=O)NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C96H140FN25O25S/c1-54(2)43-70(92(141)116-65(83(99)132)32-42-148-6)118-94(143)73(46-61-49-102-53-110-61)115-79(128)51-109-95(144)82(55(3)4)122-84(133)56(5)111-91(140)72(45-59-48-107-64-16-10-9-15-63(59)64)120-90(139)69(28-30-75(98)124)112-77(126)19-8-7-12-33-103-76(125)31-29-68(114-80(129)52-147-41-40-146-39-38-145-37-36-105-85(134)58-22-24-60(97)25-23-58)86(135)104-34-13-11-17-67-89(138)119-71(44-57-20-26-62(123)27-21-57)93(142)121-74(47-81(130)131)87(136)108-50-78(127)113-66(88(137)117-67)18-14-35-106-96(100)101/h9-10,15-16,20-27,48-49,53-56,65-74,82,107,123H,7-8,11-14,17-19,28-47,50-52H2,1-6H3,(H2,98,124)(H2,99,132)(H,102,110)(H,103,125)(H,104,135)(H,105,134)(H,108,136)(H,109,144)(H,111,140)(H,112,126)(H,113,127)(H,114,129)(H,115,128)(H,116,141)(H,117,137)(H,118,143)(H,119,138)(H,120,139)(H,121,142)(H,122,133)(H,130,131)(H4,100,101,106)/t56-,65+,66+,67+,68?,69-,70-,71-,72+,73+,74+,82+/m0/s1
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n/an/a 13.8n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277111
PNG
(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H26N4O6/c34-26(35)15-22(18-5-8-23-25(14-18)38-16-37-23)32-12-9-17-13-19(6-7-20(17)28(32)36)39-24-4-1-3-21-27(24)31-29-30-10-2-11-33(21)29/h1,3-8,13-14,22H,2,9-12,15-16H2,(H,30,31)(H,34,35)
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n/an/a 14n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276746
PNG
(CHEMBL452724 | c[RGDf-(3S)-Carboxymorpholine])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2COCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19-/m0/s1
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n/an/a 15.1n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 18.9n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296635
PNG
((R)-2-(2,3-dichlorophenylsulfonamido)-3-(thiophene...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccsc1)NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H12Cl2N2O5S2/c15-9-2-1-3-11(12(9)16)25(22,23)18-10(14(20)21)6-17-13(19)8-4-5-24-7-8/h1-5,7,10,18H,6H2,(H,17,19)(H,20,21)/t10-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276747
PNG
(CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H]2COCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296597
PNG
((R)-3-(thiophene-3-carboxamido)-2-(2,4,6-trichloro...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccsc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N2O5S2/c15-8-3-9(16)12(10(17)4-8)26(23,24)19-11(14(21)22)5-18-13(20)7-1-2-25-6-7/h1-4,6,11,19H,5H2,(H,18,20)(H,21,22)/t11-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296603
PNG
((R)-3-benzamido-2-(2-iodophenylsulfonamido)propano...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccccc1)NS(=O)(=O)c1ccccc1I
Show InChI InChI=1S/C16H15IN2O5S/c17-12-8-4-5-9-14(12)25(23,24)19-13(16(21)22)10-18-15(20)11-6-2-1-3-7-11/h1-9,13,19H,10H2,(H,18,20)(H,21,22)/t13-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296611
PNG
((R)-3-(furan-3-carboxamido)-2-(2,4,6-trimethylphen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C17H20N2O6S/c1-10-6-11(2)15(12(3)7-10)26(23,24)19-14(17(21)22)8-18-16(20)13-4-5-25-9-13/h4-7,9,14,19H,8H2,1-3H3,(H,18,20)(H,21,22)/t14-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276747
PNG
(CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H]2COCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1
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n/an/a 32.6n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277096
PNG
(3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12
Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)
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n/an/a 39n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296609
PNG
((R)-3-(2-methyloxazole-4-carboxamido)-2-(2,4,6-tri...)
Show SMILES Cc1nc(co1)C(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C17H21N3O6S/c1-9-5-10(2)15(11(3)6-9)27(24,25)20-13(17(22)23)7-18-16(21)14-8-26-12(4)19-14/h5-6,8,13,20H,7H2,1-4H3,(H,18,21)(H,22,23)/t13-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296612
PNG
((R)-3-(thiophene-3-carboxamido)-2-(2,4,6-trimethyl...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccsc1)C(O)=O
Show InChI InChI=1S/C17H20N2O5S2/c1-10-6-11(2)15(12(3)7-10)26(23,24)19-14(17(21)22)8-18-16(20)13-4-5-25-9-13/h4-7,9,14,19H,8H2,1-3H3,(H,18,20)(H,21,22)/t14-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296600
PNG
((R)-3-benzamido-2-(2,3-dichlorophenylsulfonamido)p...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccccc1)NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N2O5S/c17-11-7-4-8-13(14(11)18)26(24,25)20-12(16(22)23)9-19-15(21)10-5-2-1-3-6-10/h1-8,12,20H,9H2,(H,19,21)(H,22,23)/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296607
PNG
((R)-3-(pyrimidine-5-carboxamido)-2-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1cncnc1)C(O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-10-4-11(2)15(12(3)5-10)27(25,26)21-14(17(23)24)8-20-16(22)13-6-18-9-19-7-13/h4-7,9,14,21H,8H2,1-3H3,(H,20,22)(H,23,24)/t14-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265536
PNG
(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)CCC(NC(=O)COCCOCCOCCNC(=O)c1ccc(F)cc1)C(=O)NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C96H140FN25O25S/c1-54(2)43-70(92(141)116-65(83(99)132)32-42-148-6)118-94(143)73(46-61-49-102-53-110-61)115-79(128)51-109-95(144)82(55(3)4)122-84(133)56(5)111-91(140)72(45-59-48-107-64-16-10-9-15-63(59)64)120-90(139)69(28-30-75(98)124)112-77(126)19-8-7-12-33-103-76(125)31-29-68(114-80(129)52-147-41-40-146-39-38-145-37-36-105-85(134)58-22-24-60(97)25-23-58)86(135)104-34-13-11-17-67-89(138)119-71(44-57-20-26-62(123)27-21-57)93(142)121-74(47-81(130)131)87(136)108-50-78(127)113-66(88(137)117-67)18-14-35-106-96(100)101/h9-10,15-16,20-27,48-49,53-56,65-74,82,107,123H,7-8,11-14,17-19,28-47,50-52H2,1-6H3,(H2,98,124)(H2,99,132)(H,102,110)(H,103,125)(H,104,135)(H,105,134)(H,108,136)(H,109,144)(H,111,140)(H,112,126)(H,113,127)(H,114,129)(H,115,128)(H,116,141)(H,117,137)(H,118,143)(H,119,138)(H,120,139)(H,121,142)(H,122,133)(H,130,131)(H4,100,101,106)/t56-,65+,66+,67+,68?,69-,70-,71-,72+,73+,74+,82+/m0/s1
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n/an/a 73.3n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr4]BBN form integrin alphaVbeta3 receptor in human PC3 cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296632
PNG
((R)-3-(2-methoxybenzamido)-2-(2,4,6-trimethylpheny...)
Show SMILES COc1ccccc1C(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C20H24N2O6S/c1-12-9-13(2)18(14(3)10-12)29(26,27)22-16(20(24)25)11-21-19(23)15-7-5-6-8-17(15)28-4/h5-10,16,22H,11H2,1-4H3,(H,21,23)(H,24,25)/t16-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265537
PNG
((S)-N1-((5R,8S,11R,17R,20S,23R)-11-((1H-imidazol-4...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C43H65N13O9S/c1-22(2)15-31(41(63)53-30(37(46)59)13-14-66-6)55-42(64)33(17-26-19-47-21-50-26)52-35(58)20-49-43(65)36(23(3)4)56-38(60)24(5)51-40(62)32(54-39(61)28(44)11-12-34(45)57)16-25-18-48-29-10-8-7-9-27(25)29/h7-10,18-19,21-24,28,30-33,36,48H,11-17,20,44H2,1-6H3,(H2,45,57)(H2,46,59)(H,47,50)(H,49,65)(H,51,62)(H,52,58)(H,53,63)(H,54,61)(H,55,64)(H,56,60)/t24-,28-,30+,31-,32+,33+,36+/m0/s1
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n/an/a 79.0n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr4]BBN form integrin alphaVbeta3 receptor in human PC3 cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296608
PNG
((R)-3-(nicotinamido)-2-(2,4,6-trimethylphenylsulfo...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1cccnc1)C(O)=O
Show InChI InChI=1S/C18H21N3O5S/c1-11-7-12(2)16(13(3)8-11)27(25,26)21-15(18(23)24)10-20-17(22)14-5-4-6-19-9-14/h4-9,15,21H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50265535
PNG
(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)CCC(NC(=O)COCCOCCOCCN)C(=O)NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C89H137N25O24S/c1-50(2)39-64(85(132)108-59(77(92)124)28-38-139-6)110-87(134)67(42-55-45-95-49-102-55)107-73(120)47-101-88(135)76(51(3)4)114-78(125)52(5)103-84(131)66(41-54-44-99-58-16-10-9-15-57(54)58)112-83(130)63(24-26-69(91)116)104-71(118)19-8-7-12-30-96-70(117)27-25-62(106-74(121)48-138-37-36-137-35-34-136-33-29-90)79(126)97-31-13-11-17-61-82(129)111-65(40-53-20-22-56(115)23-21-53)86(133)113-68(43-75(122)123)80(127)100-46-72(119)105-60(81(128)109-61)18-14-32-98-89(93)94/h9-10,15-16,20-23,44-45,49-52,59-68,76,99,115H,7-8,11-14,17-19,24-43,46-48,90H2,1-6H3,(H2,91,116)(H2,92,124)(H,95,102)(H,96,117)(H,97,126)(H,100,127)(H,101,135)(H,103,131)(H,104,118)(H,105,119)(H,106,121)(H,107,120)(H,108,132)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,133)(H,114,125)(H,122,123)(H4,93,94,98)/t52-,59+,60+,61+,62?,63-,64-,65-,66+,67+,68+,76+/m0/s1
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n/an/a 85.5n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr4]BBN form integrin alphaVbeta3 receptor in human PC3 cells


J Med Chem 52: 425-32 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296596
PNG
((R)-2-(3-cyanophenylsulfonamido)-3-(furan-3-carbox...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccoc1)NS(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C15H13N3O6S/c16-7-10-2-1-3-12(6-10)25(22,23)18-13(15(20)21)8-17-14(19)11-4-5-24-9-11/h1-6,9,13,18H,8H2,(H,17,19)(H,20,21)/t13-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296599
PNG
((R)-3-benzamido-2-(2,6-dichlorophenylsulfonamido)p...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H14Cl2N2O5S/c17-11-7-4-8-12(18)14(11)26(24,25)20-13(16(22)23)9-19-15(21)10-5-2-1-3-6-10/h1-8,13,20H,9H2,(H,19,21)(H,22,23)/t13-/m1/s1
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296623
PNG
((R)-3-benzamido-2-(2,4,6-trimethylphenylsulfonamid...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-13(2)17(14(3)10-12)27(25,26)21-16(19(23)24)11-20-18(22)15-7-5-4-6-8-15/h4-10,16,21H,11H2,1-3H3,(H,20,22)(H,23,24)/t16-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50276746
PNG
(CHEMBL452724 | c[RGDf-(3S)-Carboxymorpholine])
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2COCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19-/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter


Bioorg Med Chem 17: 1542-9 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277095
PNG
(3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12
Show InChI InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)
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n/an/a 180n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296595
PNG
((R)-3-(furan-3-carboxamido)-2-(3-methoxyphenylsulf...)
Show SMILES COc1cccc(c1)S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C15H16N2O7S/c1-23-11-3-2-4-12(7-11)25(21,22)17-13(15(19)20)8-16-14(18)10-5-6-24-9-10/h2-7,9,13,17H,8H2,1H3,(H,16,18)(H,19,20)/t13-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277075
PNG
(3-(4-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc(cc3)C(=O)NCCC(O)=O)cccc12
Show InChI InChI=1S/C18H18N4O4/c1-22-13-3-2-4-14(16(13)21-18(22)19)26-12-7-5-11(6-8-12)17(25)20-10-9-15(23)24/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,25)(H,23,24)
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n/an/a 230n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296633
PNG
((R)-3-(furan-3-carboxamido)-2-(2-methylphenylsulfo...)
Show SMILES Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C15H16N2O6S/c1-10-4-2-3-5-13(10)24(21,22)17-12(15(19)20)8-16-14(18)11-6-7-23-9-11/h2-7,9,12,17H,8H2,1H3,(H,16,18)(H,19,20)/t12-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296604
PNG
((R)-3-benzamido-2-(2-chlorophenylsulfonamido)propa...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccccc1)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-8-4-5-9-14(12)25(23,24)19-13(16(21)22)10-18-15(20)11-6-2-1-3-7-11/h1-9,13,19H,10H2,(H,18,20)(H,21,22)/t13-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296606
PNG
((R)-3-(isonicotinamido)-2-(2,4,6-trimethylphenylsu...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccncc1)C(O)=O
Show InChI InChI=1S/C18H21N3O5S/c1-11-8-12(2)16(13(3)9-11)27(25,26)21-15(18(23)24)10-20-17(22)14-4-6-19-7-5-14/h4-9,15,21H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
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n/an/a 301n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277098
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CCN1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O
Show InChI InChI=1S/C22H22N4O4/c27-19(28)8-12-25-11-7-14-13-15(5-6-16(14)21(25)29)30-18-4-1-3-17-20(18)24-22-23-9-2-10-26(17)22/h1,3-6,13H,2,7-12H2,(H,23,24)(H,27,28)
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n/an/a 310n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296605
PNG
((R)-3-benzamido-2-(2-methylphenylsulfonamido)propa...)
Show SMILES Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H18N2O5S/c1-12-7-5-6-10-15(12)25(23,24)19-14(17(21)22)11-18-16(20)13-8-3-2-4-9-13/h2-10,14,19H,11H2,1H3,(H,18,20)(H,21,22)/t14-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277097
PNG
(3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12
Show InChI InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)
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n/an/a 370n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50277096
PNG
(3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12
Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)
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n/an/a 600n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296634
PNG
((R)-3-(furan-3-carboxamido)-2-(2-methoxyphenylsulf...)
Show SMILES COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C15H16N2O7S/c1-23-12-4-2-3-5-13(12)25(21,22)17-11(15(19)20)8-16-14(18)10-6-7-24-9-10/h2-7,9,11,17H,8H2,1H3,(H,16,18)(H,19,20)/t11-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296601
PNG
((R)-3-benzamido-2-(2-methoxyphenylsulfonamido)prop...)
Show SMILES COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H18N2O6S/c1-25-14-9-5-6-10-15(14)26(23,24)19-13(17(21)22)11-18-16(20)12-7-3-2-4-8-12/h2-10,13,19H,11H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1
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n/an/a 729n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296594
PNG
((R)-3-(furan-3-carboxamido)-2-(pyridine-3-sulfonam...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccoc1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C13H13N3O6S/c17-12(9-3-5-22-8-9)15-7-11(13(18)19)16-23(20,21)10-2-1-4-14-6-10/h1-6,8,11,16H,7H2,(H,15,17)(H,18,19)/t11-/m1/s1
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n/an/a 793n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296629
PNG
((R)-3-acetamido-2-(2,4,6-trimethylphenylsulfonamid...)
Show SMILES CC(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C14H20N2O5S/c1-8-5-9(2)13(10(3)6-8)22(20,21)16-12(14(18)19)7-15-11(4)17/h5-6,12,16H,7H2,1-4H3,(H,15,17)(H,18,19)/t12-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens)
BDBM50296631
PNG
((R)-3-(1-oxoisoindolin-2-yl)-2-(2,4,6-trimethylphe...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CN1Cc2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-12-8-13(2)18(14(3)9-12)28(26,27)21-17(20(24)25)11-22-10-15-6-4-5-7-16(15)19(22)23/h4-9,17,21H,10-11H2,1-3H3,(H,24,25)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 975n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alphavbeta3 integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
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