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Compile Data Set for Download or QSAR

Found 3409 hits with Last Name = 'nguyen' and Initial = 'tt'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50265157
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r|
Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of APMA activated recombinant human full length MMP2 expressed in mouse cells using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substra...

ACS Med Chem Lett 9: 708-713 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00163
BindingDB Entry DOI: 10.7270/Q25M688J
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50078697
PNG
(CHEMBL54138 | {(S)-7-[2-(1H-Imidazol-2-ylamino)-et...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncc[nH]1
Show InChI InChI=1S/C18H22N6O4/c1-24-10-12-8-11(16(27)19-4-5-20-18-21-6-7-22-18)2-3-13(12)23-14(17(24)28)9-15(25)26/h2-3,6-8,14,23H,4-5,9-10H2,1H3,(H,19,27)(H,25,26)(H2,20,21,22)/t14-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Vitronectin receptor.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair
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 towards human Vitronectin receptor.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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))		BDBM50078710
PNG
(CHEMBL298782 | {(S)-7-[2-(6-Amino-pyridin-2-ylamin...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(N)n1
Show InChI InChI=1S/C20H24N6O4/c1-26-11-13-9-12(5-6-14(13)24-15(20(26)30)10-18(27)28)19(29)23-8-7-22-17-4-2-3-16(21)25-17/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,23,29)(H,27,28)(H3,21,22,25)/t15-/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 towards human Vitronectin receptor.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50078696
PNG
(CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1
Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/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 towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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
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
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))		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


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
Integrin alpha-V/beta-3


(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
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))		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))		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))		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
Integrin alpha-V/beta-3


(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
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50265157
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r|
Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1
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 3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 catalytic domain (Phe99 to Gln269 residues) expressed in Escherichia coli using McaKPLGL-Dpa-AR-NH2 as substrate...

ACS Med Chem Lett 9: 708-713 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00163
BindingDB Entry DOI: 10.7270/Q25M688J
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50078703
PNG
(CHEMBL301760 | {(S)-4-Methyl-3-oxo-7-[2-(pyridin-2...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ccccn1
Show InChI InChI=1S/C20H23N5O4/c1-25-12-14-10-13(5-6-15(14)24-16(20(25)29)11-18(26)27)19(28)23-9-8-22-17-4-2-3-7-21-17/h2-7,10,16,24H,8-9,11-12H2,1H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1
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 3.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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))		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
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))		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))		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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50388914
PNG
(CHEMBL2063274 | US10357546, p-OH SB-3CT)
Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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 6n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in human HeLa cells

J Med Chem 61: 8825-8837 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01005
BindingDB Entry DOI: 10.7270/Q2BZ68PX
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))		BDBM50078705
PNG
(CHEMBL299591 | {(S)-7-[(6-Ethylamino-pyridin-2-ylm...)
Show SMILES CCNc1cccc(CNC(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1
Show InChI InChI=1S/C21H25N5O4/c1-3-22-18-6-4-5-15(24-18)11-23-20(29)13-7-8-16-14(9-13)12-26(2)21(30)17(25-16)10-19(27)28/h4-9,17,25H,3,10-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1
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 9n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Vitronectin receptor.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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))		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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50265157
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r|
Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1
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 10n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 catalytic domain (Phe107 to Pro449 residues) expressed in Escherichia coli using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)...

ACS Med Chem Lett 9: 708-713 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00163
BindingDB Entry DOI: 10.7270/Q25M688J
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(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
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))		BDBM50078698
PNG
(CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...)
Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1
Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/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 towards human Vitronectin receptor.

Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
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))		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
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))		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))		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))		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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50459505
PNG
(CHEMBL4215451)
Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r|
Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m1./s1
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 19n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Slow binding inhibition of human recombinant MMP9 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate

J Med Chem 61: 8825-8837 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01005
BindingDB Entry DOI: 10.7270/Q2BZ68PX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50072506
PNG
(CHEMBL110506 | {(S)-7-[(5H-Imidazo[4,5-c]pyridazin...)
Show SMILES CN(Cc1nc2nnccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C20H21N7O4/c1-26-9-12-7-11(3-4-13(12)22-15(20(26)31)8-17(28)29)19(30)27(2)10-16-23-14-5-6-21-25-18(14)24-16/h3-7,15,22H,8-10H2,1-2H3,(H,28,29)(H,23,24,25)/t15-/m0/s1
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 19n/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
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))		BDBM50072510
PNG
(CHEMBL419013 | {(S)-4-Methyl-7-[methyl-(7H-purin-8...)
Show SMILES CN(Cc1nc2ncncc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
Show InChI InChI=1S/C20H21N7O4/c1-26-8-12-5-11(3-4-13(12)23-14(20(26)31)6-17(28)29)19(30)27(2)9-16-24-15-7-21-10-22-18(15)25-16/h3-5,7,10,14,23H,6,8-9H2,1-2H3,(H,28,29)(H,21,22,24,25)/t14-/m0/s1
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 23n/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
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