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12 similar compounds to monomer 50091755

Wt: 491.5
BDBM50010182
Wt: 588.6
BDBM50079440
Wt: 588.6
BDBM50079441
Wt: 588.6
BDBM50079442
Wt: 588.6
BDBM50079443
Wt: 574.6
BDBM50079444
Wt: 588.6
BDBM50079445
Wt: 588.6
BDBM50100138
Wt: 574.6
BDBM50100152
Wt: 588.6
BDBM50110230
Wt: 588.6
BDBM50133942
Wt: 574.6
BDBM50187745

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50010182,50079440,50079441,50079442,50079443,50079444,50079445,50100138,50100152,50110230,50133942,50187745   
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 alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010182
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H33N7O6/c1-14(30)28-16(8-5-10-26-22(23)24)20(34)27-13-18(31)29-17(12-19(32)33)21(35)25-11-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,25,35)(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,26)/t16-,17-/m0/s1
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n/an/a 7.59E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50133942
PNG
(2-[10-[3-amino(imino)methylaminopropyl]-4-benzyl-7...)
Show SMILES CC(C)C[C@H]1NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)11-18-25(41)34-19(12-16-7-4-3-5-8-16)26(42)35-20(13-22(37)38)23(39)31-14-21(36)32-17(24(40)33-18)9-6-10-30-27(28)29/h3-5,7-8,15,17-20H,6,9-14H2,1-2H3,(H,31,39)(H,32,36)(H,33,40)(H,34,41)(H,35,42)(H,37,38)(H4,28,29,30)/t17?,18-,19-,20-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of binding to alphaV-beta3 integrin


J Med Chem 46: 4393-404 (2003)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079441
PNG
(CHEMBL321332 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(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)26(42)35(3)19(24(40)34-22)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>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079442
PNG
(CHEMBL105553 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)32-17(10-7-11-30-27(28)29)26(42)35(3)14-20(36)31-19(13-21(37)38)23(39)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,36)(H,32,41)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079443
PNG
(CHEMBL431829 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(10-7-11-30-27(28)29)25(41)31-14-20(36)32-18(13-21(37)38)23(39)33-17(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,41)(H,32,36)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079444
PNG
(CHEMBL317887 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/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+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079445
PNG
(CHEMBL103089 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)N(C)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)32-17(10-7-11-30-27(28)29)23(39)31-14-20(36)35(3)19(13-21(37)38)25(41)33-18(24(40)34-22)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,32,42)(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 560n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079443
PNG
(CHEMBL431829 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(10-7-11-30-27(28)29)25(41)31-14-20(36)32-18(13-21(37)38)23(39)33-17(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,41)(H,32,36)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079442
PNG
(CHEMBL105553 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)32-17(10-7-11-30-27(28)29)26(42)35(3)14-20(36)31-19(13-21(37)38)23(39)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,36)(H,32,41)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079445
PNG
(CHEMBL103089 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)N(C)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)32-17(10-7-11-30-27(28)29)23(39)31-14-20(36)35(3)19(13-21(37)38)25(41)33-18(24(40)34-22)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,32,42)(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>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079444
PNG
(CHEMBL317887 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/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+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079440
PNG
(CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
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](CCCNC(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 0.580n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50079441
PNG
(CHEMBL321332 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(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)26(42)35(3)19(24(40)34-22)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 1.40E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50100138
PNG
(CHEMBL59076 | [14-Benzyl-8-(3-guanidino-propyl)-11...)
Show SMILES CC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(12-16-8-5-4-6-9-16)25(41)33-18(13-21(37)38)23(39)31-14-20(36)32-17(24(40)34-22)10-7-11-30-27(28)29/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)
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n/an/a 0.600n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against vitronectin receptor (alpha V beta 3)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50100152
PNG
(CHEMBL59569 | [14-Benzyl-8-(3-guanidino-propyl)-11...)
Show SMILES CC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)33-17(11-15-7-4-3-5-8-15)24(40)32-18(12-20(36)37)22(38)30-13-19(35)31-16(23(39)34-21)9-6-10-29-26(27)28/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,40)(H,33,41)(H,34,39)(H,36,37)(H4,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against vitronectin receptor (alpha V beta 3)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100152
PNG
(CHEMBL59569 | [14-Benzyl-8-(3-guanidino-propyl)-11...)
Show SMILES CC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)33-17(11-15-7-4-3-5-8-15)24(40)32-18(12-20(36)37)22(38)30-13-19(35)31-16(23(39)34-21)9-6-10-29-26(27)28/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,40)(H,33,41)(H,34,39)(H,36,37)(H4,27,28,29)
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n/an/a 850n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta 3 integrin


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110230
PNG
(CHEMBL428161 | [5-Benzyl-11-(3-guanidino-propyl)-8...)
Show SMILES CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(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?/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50187745
PNG
(CHEMBL383412 | c(Arg-Gly-Asp-D-Phe-Val))
Show SMILES CC(C)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/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?/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of adhesion of K562 cells expressing alphaVbeta3 integrin receptor to vitronectin


J Med Chem 49: 3416-20 (2006)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079440
PNG
(CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
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](CCCNC(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 860n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)

More data for this
Ligand-Target Pair