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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50008333   
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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072478
PNG
(CHEMBL108693 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CN(Cc2ccccc2)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H25N5O4/c33-25(34)13-23-27(36)32(15-17-6-2-1-3-7-17)16-19-12-18(10-11-20(19)29-23)26(35)28-14-24-30-21-8-4-5-9-22(21)31-24/h1-12,23,29H,13-16H2,(H,28,35)(H,30,31)(H,33,34)/t23-/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
Integrin alpha-V/beta-3


(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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072496
PNG
(CHEMBL324421 | {(S)-7-[(6-Amino-1H-benzoimidazol-2...)
Show SMILES CN(Cc1nc2ccc(N)cc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H24N6O4/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,9-11,23H2,1-2H3,(H,25,26)(H,29,30)/t18-/m0/s1
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 19n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072480
PNG
(CHEMBL110114 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CC(C)N1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N5O4/c1-13(2)28-12-15-9-14(7-8-16(15)25-19(23(28)32)10-21(29)30)22(31)24-11-20-26-17-5-3-4-6-18(17)27-20/h3-9,13,19,25H,10-12H2,1-2H3,(H,24,31)(H,26,27)(H,29,30)/t19-/m0/s1
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 20n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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 24n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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 24n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072499
PNG
(CHEMBL322783 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CN(CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H21N5O6/c28-19(29)8-17-22(33)27(11-20(30)31)10-13-7-12(5-6-14(13)24-17)21(32)23-9-18-25-15-3-1-2-4-16(15)26-18/h1-7,17,24H,8-11H2,(H,23,32)(H,25,26)(H,28,29)(H,30,31)/t17-/m0/s1
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 27n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072494
PNG
(CHEMBL105814 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N5O5/c1-33-9-8-28-13-15-10-14(6-7-16(15)25-19(23(28)32)11-21(29)30)22(31)24-12-20-26-17-4-2-3-5-18(17)27-20/h2-7,10,19,25H,8-9,11-13H2,1H3,(H,24,31)(H,26,27)(H,29,30)/t19-/m0/s1
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 28n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072469
PNG
(CHEMBL105934 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES OC(=O)C[C@@H]1Nc2ccc(cc2CNC1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H19N5O4/c26-18(27)8-16-20(29)21-9-12-7-11(5-6-13(12)23-16)19(28)22-10-17-24-14-3-1-2-4-15(14)25-17/h1-7,16,23H,8-10H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/t16-/m0/s1
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 30n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072485
PNG
(CHEMBL322253 | {(S)-4-Methyl-7-[methyl-(1-methyl-1...)
Show SMILES CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H25N5O4/c1-26-12-15-10-14(8-9-16(15)24-18(23(26)32)11-21(29)30)22(31)27(2)13-20-25-17-6-4-5-7-19(17)28(20)3/h4-10,18,24H,11-13H2,1-3H3,(H,29,30)/t18-/m0/s1
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 70n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072484
PNG
(CHEMBL409241 | {(S)-7-[(1H-Indol-2-ylmethyl)-carba...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H22N4O4/c1-26-12-15-8-14(6-7-18(15)25-19(22(26)30)10-20(27)28)21(29)23-11-16-9-13-4-2-3-5-17(13)24-16/h2-9,19,24-25H,10-12H2,1H3,(H,23,29)(H,27,28)/t19-/m0/s1
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 110n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072475
PNG
(CHEMBL323725 | {(S)-7-[(5,6-Dimethoxy-1H-benzoimid...)
Show SMILES COc1cc2nc(CN(C)C(=O)c3ccc4N[C@@H](CC(O)=O)C(=O)N(C)Cc4c3)[nH]c2cc1OC
Show InChI InChI=1S/C24H27N5O6/c1-28-11-14-7-13(5-6-15(14)25-18(24(28)33)10-22(30)31)23(32)29(2)12-21-26-16-8-19(34-3)20(35-4)9-17(16)27-21/h5-9,18,25H,10-12H2,1-4H3,(H,26,27)(H,30,31)/t18-/m0/s1
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 180n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072500
PNG
(CHEMBL326197 | [(S)-7-(Benzothiazol-2-ylmethyl-met...)
Show SMILES CN(Cc1nc2ccccc2s1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N4O4S/c1-25-11-14-9-13(7-8-15(14)23-17(22(25)30)10-20(27)28)21(29)26(2)12-19-24-16-5-3-4-6-18(16)31-19/h3-9,17,23H,10-12H2,1-2H3,(H,27,28)/t17-/m0/s1
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 480n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072486
PNG
(CHEMBL321015 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(Cc1nc2ccccc2[nH]1)C1CCCCC1
Show InChI InChI=1S/C27H31N5O4/c1-31-15-18-13-17(11-12-20(18)28-23(27(31)36)14-25(33)34)26(35)32(19-7-3-2-4-8-19)16-24-29-21-9-5-6-10-22(21)30-24/h5-6,9-13,19,23,28H,2-4,7-8,14-16H2,1H3,(H,29,30)(H,33,34)/t23-/m0/s1
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 750n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072476
PNG
(CHEMBL110920 | [(S)-7-(Benzooxazol-2-ylmethyl-meth...)
Show SMILES CN(Cc1nc2ccccc2o1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N4O5/c1-25-11-14-9-13(7-8-15(14)23-17(22(25)30)10-20(27)28)21(29)26(2)12-19-24-16-5-3-4-6-18(16)31-19/h3-9,17,23H,10-12H2,1-2H3,(H,27,28)/t17-/m0/s1
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 1.10E+3n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072503
PNG
(CHEMBL110083 | {(S)-7-[(4,7-Dimethoxy-1H-benzoimid...)
Show SMILES COc1ccc(OC)c2[nH]c(CN(C)C(=O)c3ccc4N[C@@H](CC(O)=O)C(=O)N(C)Cc4c3)nc12
Show InChI InChI=1S/C24H27N5O6/c1-28-11-14-9-13(5-6-15(14)25-16(24(28)33)10-20(30)31)23(32)29(2)12-19-26-21-17(34-3)7-8-18(35-4)22(21)27-19/h5-9,16,25H,10-12H2,1-4H3,(H,26,27)(H,30,31)/t16-/m0/s1
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 1.30E+3n/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
Integrin alpha-IIb/beta-3


(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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 2.75E+3n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072489
PNG
(CHEMBL110459 | {(S)-7-[(1H-Imidazol-2-ylmethyl)-ca...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C17H19N5O4/c1-22-9-11-6-10(16(25)20-8-14-18-4-5-19-14)2-3-12(11)21-13(17(22)26)7-15(23)24/h2-6,13,21H,7-9H2,1H3,(H,18,19)(H,20,25)(H,23,24)/t13-/m0/s1
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 2.90E+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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50072485
PNG
(CHEMBL322253 | {(S)-4-Methyl-7-[methyl-(1-methyl-1...)
Show SMILES CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H25N5O4/c1-26-12-15-10-14(8-9-16(15)24-18(23(26)32)11-21(29)30)22(31)27(2)13-20-25-17-6-4-5-7-19(17)28(20)3/h4-10,18,24H,11-13H2,1-3H3,(H,29,30)/t18-/m0/s1
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 2.80E+4n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50072500
PNG
(CHEMBL326197 | [(S)-7-(Benzothiazol-2-ylmethyl-met...)
Show SMILES CN(Cc1nc2ccccc2s1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N4O4S/c1-25-11-14-9-13(7-8-15(14)23-17(22(25)30)10-20(27)28)21(29)26(2)12-19-24-16-5-3-4-6-18(16)31-19/h3-9,17,23H,10-12H2,1-2H3,(H,27,28)/t17-/m0/s1
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 2.90E+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
Integrin alpha-IIb/beta-3


(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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 3.00E+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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50072476
PNG
(CHEMBL110920 | [(S)-7-(Benzooxazol-2-ylmethyl-meth...)
Show SMILES CN(Cc1nc2ccccc2o1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H22N4O5/c1-25-11-14-9-13(7-8-15(14)23-17(22(25)30)10-20(27)28)21(29)26(2)12-19-24-16-5-3-4-6-18(16)31-19/h3-9,17,23H,10-12H2,1-2H3,(H,27,28)/t17-/m0/s1
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 3.00E+4n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50072489
PNG
(CHEMBL110459 | {(S)-7-[(1H-Imidazol-2-ylmethyl)-ca...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C17H19N5O4/c1-22-9-11-6-10(16(25)20-8-14-18-4-5-19-14)2-3-12(11)21-13(17(22)26)7-15(23)24/h2-6,13,21H,7-9H2,1H3,(H,18,19)(H,20,25)(H,23,24)/t13-/m0/s1
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 4.70E+4n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50072484
PNG
(CHEMBL409241 | {(S)-7-[(1H-Indol-2-ylmethyl)-carba...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H22N4O4/c1-26-12-15-8-14(6-7-18(15)25-19(22(26)30)10-20(27)28)21(29)23-11-16-9-13-4-2-3-5-17(13)24-16/h2-9,19,24-25H,10-12H2,1H3,(H,23,29)(H,27,28)/t19-/m0/s1
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>5.00E+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
Integrin alpha-V/beta-3


(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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n/an/a 90n/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
Integrin alpha-V/beta-3


(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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n/an/a 145n/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
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