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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'ross' and Initial = 'st'   
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 (Human))
BDBM50083761
PNG
(CHEMBL87429 | [3-Oxo-8-[3-(pyridin-2-ylamino)-prop...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)/t16-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083763
PNG
(CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...)
Show SMILES CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1
Show InChI InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083764
PNG
(CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...)
Show SMILES OC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for non-peptide Vitronectin receptor (alpha V beta 3)


Bioorg Med Chem Lett 9: 1807-12 (1999)


BindingDB Entry DOI: 10.7270/Q2Q23ZFC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072493
PNG
(CHEMBL108490 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCC(C)(C)C)Cc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2,3)11-12-32-15-18-13-17(9-10-19(18)28-22(26(32)36)14-24(33)34)25(35)31(4)16-23-29-20-7-5-6-8-21(20)30-23/h5-10,13,22,28H,11-12,14-16H2,1-4H3,(H,29,30)(H,33,34)/t22-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50083762
PNG
(CHEMBL314022 | {2-Methyl-3-oxo-8-[3-(pyridin-2-yla...)
Show SMILES CN1Cc2cc(OCCCNc3ccccn3)ccc2CC(CC(O)=O)C1=O
Show InChI InChI=1S/C21H25N3O4/c1-24-14-17-12-18(28-10-4-9-23-19-5-2-3-8-22-19)7-6-15(17)11-16(21(24)27)13-20(25)26/h2-3,5-8,12,16H,4,9-11,13-14H2,1H3,(H,22,23)(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072492
PNG
(CHEMBL419180 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(Cc3ccccc3)Cc2c1
Show InChI InChI=1S/C28H27N5O4/c1-32(17-25-30-22-9-5-6-10-23(22)31-25)27(36)19-11-12-21-20(13-19)16-33(15-18-7-3-2-4-8-18)28(37)24(29-21)14-26(34)35/h2-13,24,29H,14-17H2,1H3,(H,30,31)(H,34,35)/t24-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059133
PNG
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072468
PNG
(CHEMBL108685 | {(S)-4-Methyl-7-[methyl-(7-methyl-1...)
Show SMILES CN(Cc1nc2c(C)cccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H25N5O4/c1-13-5-4-6-17-21(13)26-19(25-17)12-28(3)22(31)14-7-8-16-15(9-14)11-27(2)23(32)18(24-16)10-20(29)30/h4-9,18,24H,10-12H2,1-3H3,(H,25,26)(H,29,30)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059133
PNG
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3


Bioorg Med Chem Lett 9: 1807-12 (1999)


BindingDB Entry DOI: 10.7270/Q2Q23ZFC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059133
PNG
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059133
PNG
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126595
PNG
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50126595
PNG
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072483
PNG
(CHEMBL110517 | {(S)-7-[Bis-(1H-benzoimidazol-2-ylm...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H27N7O4/c1-35-14-18-12-17(10-11-19(18)30-24(29(35)40)13-27(37)38)28(39)36(15-25-31-20-6-2-3-7-21(20)32-25)16-26-33-22-8-4-5-9-23(22)34-26/h2-12,24,30H,13-16H2,1H3,(H,31,32)(H,33,34)(H,37,38)/t24-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072504
PNG
(CHEMBL321648 | [(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)
Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1
Show InChI InChI=1S/C23H26N6O5/c1-28(13-19-26-17-4-3-7-24-21(17)27-19)22(32)14-5-6-16-15(10-14)12-29(8-9-34-2)23(33)18(25-16)11-20(30)31/h3-7,10,18,25H,8-9,11-13H2,1-2H3,(H,30,31)(H,24,26,27)/t18-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072473
PNG
(CHEMBL110413 | {(S)-7-[(5,6-Difluoro-1H-benzoimida...)
Show SMILES CN(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H21F2N5O4/c1-28-9-12-5-11(3-4-15(12)25-18(22(28)33)8-20(30)31)21(32)29(2)10-19-26-16-6-13(23)14(24)7-17(16)27-19/h3-7,18,25H,8-10H2,1-2H3,(H,26,27)(H,30,31)/t18-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072516
PNG
(CHEMBL419374 | {(S)-4-(3,3-Dimethyl-butyl)-7-[(1H-...)
Show SMILES CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCC(C)(C)C)Cc2c1
Show InChI InChI=1S/C26H32N6O4/c1-26(2,3)9-11-32-14-17-12-16(7-8-18(17)28-20(25(32)36)13-22(33)34)24(35)31(4)15-21-29-19-6-5-10-27-23(19)30-21/h5-8,10,12,20,28H,9,11,13-15H2,1-4H3,(H,33,34)(H,27,29,30)/t20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072509
PNG
(CHEMBL107927 | {(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)
Show SMILES CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C21H22N6O4/c1-26-10-13-8-12(5-6-14(13)23-16(21(26)31)9-18(28)29)20(30)27(2)11-17-24-15-4-3-7-22-19(15)25-17/h3-8,16,23H,9-11H2,1-2H3,(H,28,29)(H,22,24,25)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072507
PNG
(CHEMBL418818 | {(S)-4-Methyl-7-[methyl-(5-methyl-1...)
Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H24N6O4/c1-12-4-6-16-20(23-12)26-18(25-16)11-28(3)21(31)13-5-7-15-14(8-13)10-27(2)22(32)17(24-15)9-19(29)30/h4-8,17,24H,9-11H2,1-3H3,(H,29,30)(H,23,25,26)/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072472
PNG
(CHEMBL322416 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H27N5O5/c1-28(14-21-26-18-5-3-4-6-19(18)27-21)23(32)15-7-8-17-16(11-15)13-29(9-10-34-2)24(33)20(25-17)12-22(30)31/h3-8,11,20,25H,9-10,12-14H2,1-2H3,(H,26,27)(H,30,31)/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072474
PNG
(CHEMBL418999 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CCCCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H29N5O4/c1-3-4-11-30(15-22-27-19-7-5-6-8-20(19)28-22)24(33)16-9-10-18-17(12-16)14-29(2)25(34)21(26-18)13-23(31)32/h5-10,12,21,26H,3-4,11,13-15H2,1-2H3,(H,27,28)(H,31,32)/t21-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072481
PNG
(CHEMBL106036 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(CC#N)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H22N6O4/c1-28-12-15-10-14(6-7-16(15)25-19(23(28)33)11-21(30)31)22(32)29(9-8-24)13-20-26-17-4-2-3-5-18(17)27-20/h2-7,10,19,25H,9,11-13H2,1H3,(H,26,27)(H,30,31)/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3


Bioorg Med Chem Lett 9: 1807-12 (1999)


BindingDB Entry DOI: 10.7270/Q2Q23ZFC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072498
PNG
(CHEMBL109003 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCc3ccccc3)Cc2c1
Show InChI InChI=1S/C29H29N5O4/c1-33(18-26-31-23-9-5-6-10-24(23)32-26)28(37)20-11-12-22-21(15-20)17-34(14-13-19-7-3-2-4-8-19)29(38)25(30-22)16-27(35)36/h2-12,15,25,30H,13-14,16-18H2,1H3,(H,31,32)(H,35,36)/t25-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072505
PNG
(CHEMBL110520 | {(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)
Show SMILES CC(C)N1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1
Show InChI InChI=1S/C23H26N6O4/c1-13(2)29-11-15-9-14(6-7-16(15)25-18(23(29)33)10-20(30)31)22(32)28(3)12-19-26-17-5-4-8-24-21(17)27-19/h4-9,13,18,25H,10-12H2,1-3H3,(H,30,31)(H,24,26,27)/t18-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaIIb-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3)


J Med Chem 43: 22-6 (2000)


BindingDB Entry DOI: 10.7270/Q290230D
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072501
PNG
(CHEMBL420666 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(CCc1ccccc1)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H29N5O4/c1-33-17-21-15-20(11-12-22(21)30-25(29(33)38)16-27(35)36)28(37)34(14-13-19-7-3-2-4-8-19)18-26-31-23-9-5-6-10-24(23)32-26/h2-12,15,25,30H,13-14,16-18H2,1H3,(H,31,32)(H,35,36)/t25-/m0/s1
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5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072466
PNG
(CHEMBL106763 | {(S)-4-Methyl-7-[methyl-(4,5,6,7-te...)
Show SMILES CN(Cc1nc2CCCCc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H27N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h7-9,18,23H,3-6,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
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5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072471
PNG
(CHEMBL106456 | {(S)-7-[(7-Amino-1H-benzoimidazol-2...)
Show SMILES CN(Cc1nc2c(N)cccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H24N6O4/c1-27-10-13-8-12(6-7-15(13)24-17(22(27)32)9-19(29)30)21(31)28(2)11-18-25-16-5-3-4-14(23)20(16)26-18/h3-8,17,24H,9-11,23H2,1-2H3,(H,25,26)(H,29,30)/t17-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072488
PNG
(CHEMBL107983 | {(S)-4-(2-Benzo[1,3]dioxol-5-yl-eth...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCc3ccc4OCOc4c3)Cc2c1
Show InChI InChI=1S/C30H29N5O6/c1-34(16-27-32-22-4-2-3-5-23(22)33-27)29(38)19-7-8-21-20(13-19)15-35(30(39)24(31-21)14-28(36)37)11-10-18-6-9-25-26(12-18)41-17-40-25/h2-9,12-13,24,31H,10-11,14-17H2,1H3,(H,32,33)(H,36,37)/t24-/m0/s1
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6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50126594
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)
PDB
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072487
PNG
(CHEMBL108366 | {(S)-4-(2-Benzo[1,3]dioxol-5-yl-eth...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CN(CCc2ccc3OCOc3c2)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H27N5O6/c35-27(36)13-23-29(38)34(10-9-17-5-8-24-25(11-17)40-16-39-24)15-19-12-18(6-7-20(19)31-23)28(37)30-14-26-32-21-3-1-2-4-22(21)33-26/h1-8,11-12,23,31H,9-10,13-16H2,(H,30,37)(H,32,33)(H,35,36)/t23-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072495
PNG
(CHEMBL419376 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)NCc2c1
Show InChI InChI=1S/C21H21N5O4/c1-26(11-18-24-15-4-2-3-5-16(15)25-18)21(30)12-6-7-14-13(8-12)10-22-20(29)17(23-14)9-19(27)28/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126597
PNG
(4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-pheny...)
Show SMILES CNc1cccc(CCOc2ccc(C[C@@H](CC(O)=O)c3ccccc3)cc2)n1
Show InChI InChI=1S/C24H26N2O3/c1-25-23-9-5-8-21(26-23)14-15-29-22-12-10-18(11-13-22)16-20(17-24(27)28)19-6-3-2-4-7-19/h2-13,20H,14-17H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078713
PNG
(CHEMBL416493 | {3-[3-(Pyridin-2-ylamino)-propoxy]-...)
Show SMILES OC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)
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8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for non-peptide Vitronectin receptor (alpha V beta 3)


Bioorg Med Chem Lett 9: 1807-12 (1999)


BindingDB Entry DOI: 10.7270/Q2Q23ZFC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072470
PNG
(CHEMBL110412 | {(S)-4-Methyl-7-[methyl-(6-trifluor...)
Show SMILES CN(Cc1nc2ccc(cc2[nH]1)C(F)(F)F)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H22F3N5O4/c1-30-10-13-7-12(3-5-15(13)27-18(22(30)35)9-20(32)33)21(34)31(2)11-19-28-16-6-4-14(23(24,25)26)8-17(16)29-19/h3-8,18,27H,9-11H2,1-2H3,(H,28,29)(H,32,33)/t18-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072467
PNG
(CHEMBL110722 | {(S)-7-[(5H-[1,3]Dioxolo[4',5':4,5]...)
Show SMILES CN(Cc1nc2cc3OCOc3cc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H23N5O6/c1-27-9-13-5-12(3-4-14(13)24-17(23(27)32)8-21(29)30)22(31)28(2)10-20-25-15-6-18-19(34-11-33-18)7-16(15)26-20/h3-7,17,24H,8-11H2,1-2H3,(H,25,26)(H,29,30)/t17-/m0/s1
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9n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072491
PNG
(CHEMBL325548 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CN(CCc2ccccc2)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H27N5O4/c34-26(35)15-24-28(37)33(13-12-18-6-2-1-3-7-18)17-20-14-19(10-11-21(20)30-24)27(36)29-16-25-31-22-8-4-5-9-23(22)32-25/h1-11,14,24,30H,12-13,15-17H2,(H,29,36)(H,31,32)(H,34,35)/t24-/m0/s1
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9n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072479
PNG
(CHEMBL327089 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CN(CCc2cccnc2)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H26N6O4/c34-25(35)13-23-27(37)33(11-9-17-4-3-10-28-14-17)16-19-12-18(7-8-20(19)30-23)26(36)29-15-24-31-21-5-1-2-6-22(21)32-24/h1-8,10,12,14,23,30H,9,11,13,15-16H2,(H,29,36)(H,31,32)(H,34,35)/t23-/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072513
PNG
(CHEMBL105982 | {(S)-7-[Methyl-(5-methyl-1H-imidazo...)
Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)NCc2c1
Show InChI InChI=1S/C21H22N6O4/c1-11-3-5-15-19(23-11)26-17(25-15)10-27(2)21(31)12-4-6-14-13(7-12)9-22-20(30)16(24-14)8-18(28)29/h3-7,16,24H,8-10H2,1-2H3,(H,22,30)(H,28,29)(H,23,25,26)/t16-/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072482
PNG
(CHEMBL414232 | {(S)-7-[(6-Chloro-1H-benzoimidazol-...)
Show SMILES CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22ClN5O4/c1-27-10-13-7-12(3-5-15(13)24-18(22(27)32)9-20(29)30)21(31)28(2)11-19-25-16-6-4-14(23)8-17(16)26-19/h3-8,18,24H,9-11H2,1-2H3,(H,25,26)(H,29,30)/t18-/m0/s1
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11n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50126596
PNG
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)
Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells


Bioorg Med Chem Lett 13: 1483-6 (2003)


BindingDB Entry DOI: 10.7270/Q2FN15K8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072502
PNG
(CHEMBL327112 | {(S)-4-Methyl-7-[methyl-(7-nitro-1H...)
Show SMILES CN(Cc1nc2c(cccc2[nH]1)[N+]([O-])=O)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N6O6/c1-26-10-13-8-12(6-7-14(13)23-16(22(26)32)9-19(29)30)21(31)27(2)11-18-24-15-4-3-5-17(28(33)34)20(15)25-18/h3-8,16,23H,9-11H2,1-2H3,(H,24,25)(H,29,30)/t16-/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072517
PNG
(CHEMBL320939 | {(S)-4-Benzyl-7-[methyl-(5-methyl-1...)
Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(Cc3ccccc3)Cc2c1
Show InChI InChI=1S/C28H28N6O4/c1-17-8-10-22-26(29-17)32-24(31-22)16-33(2)27(37)19-9-11-21-20(12-19)15-34(14-18-6-4-3-5-7-18)28(38)23(30-21)13-25(35)36/h3-12,23,30H,13-16H2,1-2H3,(H,35,36)(H,29,31,32)/t23-/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072497
PNG
(CHEMBL110130 | {(S)-4-Methyl-7-[methyl-(6-nitro-1H...)
Show SMILES CN(Cc1nc2ccc(cc2[nH]1)[N+]([O-])=O)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N6O6/c1-26-10-13-7-12(3-5-15(13)23-18(22(26)32)9-20(29)30)21(31)27(2)11-19-24-16-6-4-14(28(33)34)8-17(16)25-19/h3-8,18,23H,9-11H2,1-2H3,(H,24,25)(H,29,30)/t18-/m0/s1
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14n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072490
PNG
(CHEMBL420114 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CC(C)(C)CCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)10-11-31-15-17-12-16(8-9-18(17)28-21(25(31)35)13-23(32)33)24(34)27-14-22-29-19-6-4-5-7-20(19)30-22/h4-9,12,21,28H,10-11,13-15H2,1-3H3,(H,27,34)(H,29,30)(H,32,33)/t21-/m0/s1
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15n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50072477
PNG
(CHEMBL320120 | {(S)-7-[(6-Cyano-1H-benzoimidazol-2...)
Show SMILES CN(Cc1nc2ccc(cc2[nH]1)C#N)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H22N6O4/c1-28-11-15-8-14(4-6-16(15)25-19(23(28)33)9-21(30)31)22(32)29(2)12-20-26-17-5-3-13(10-24)7-18(17)27-20/h3-8,19,25H,9,11-12H2,1-2H3,(H,26,27)(H,30,31)/t19-/m0/s1
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15n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
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