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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'tucker' and Initial = 'gc'   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0160n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50313793
PNG
((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120519
PNG
((7-{[4-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-bu...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15|
Show InChI InChI=1S/C22H30N4O3/c27-20(7-3-10-23-22-24-11-4-12-25-22)26-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-21(28)29/h1-2,5-6,8,18H,3-4,7,9-15H2,(H,26,27)(H,28,29)(H2,23,24,25)
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078569
PNG
((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50120519
PNG
((7-{[4-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-bu...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15|
Show InChI InChI=1S/C22H30N4O3/c27-20(7-3-10-23-22-24-11-4-12-25-22)26-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-21(28)29/h1-2,5-6,8,18H,3-4,7,9-15H2,(H,26,27)(H,28,29)(H2,23,24,25)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120520
PNG
((7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15|
Show InChI InChI=1S/C21H28N4O3/c26-19(6-3-9-22-21-23-10-11-24-21)25-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(27)28/h1-2,4-5,7,17H,3,6,8-14H2,(H,25,26)(H,27,28)(H2,22,23,24)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120517
PNG
(CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naph...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25|
Show InChI InChI=1S/C26H31N3O3/c30-24(9-3-7-22-13-12-20-6-4-14-27-26(20)29-22)28-17-18-10-11-19-5-1-2-8-23(19)21(15-18)16-25(31)32/h1-2,5,8,10,12-13,21H,3-4,6-7,9,11,14-17H2,(H,27,29)(H,28,30)(H,31,32)
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n/an/a 0.300n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50120520
PNG
((7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15|
Show InChI InChI=1S/C21H28N4O3/c26-19(6-3-9-22-21-23-10-11-24-21)25-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(27)28/h1-2,4-5,7,17H,3,6,8-14H2,(H,25,26)(H,27,28)(H2,22,23,24)
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n/an/a 0.300n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from human integrin alphaV-beta5


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50120517
PNG
(CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naph...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25|
Show InChI InChI=1S/C26H31N3O3/c30-24(9-3-7-22-13-12-20-6-4-14-27-26(20)29-22)28-17-18-10-11-19-5-1-2-8-23(19)21(15-18)16-25(31)32/h1-2,5,8,10,12-13,21H,3-4,6-7,9,11,14-17H2,(H,27,29)(H,28,30)(H,31,32)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from human integrin alphaV-beta5


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378338
PNG
(CHEMBL573961)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H46F3N5O10S/c1-50-15-16-51-17-18-52-19-20-53-24-33(45)42-29-21-25(22-30(35(46)47)44-55(48,49)28-7-2-6-27(23-28)36(37,38)39)8-10-31(29)54-14-4-13-40-32-11-9-26-5-3-12-41-34(26)43-32/h2,6-11,21,23,30,44H,3-5,12-20,22,24H2,1H3,(H,42,45)(H,46,47)(H2,40,41,43)/t30-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378336
PNG
(CHEMBL574136)
Show SMILES NCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C35H45F3N6O9S/c36-35(37,38)26-5-1-6-27(22-26)54(48,49)44-29(34(46)47)21-24-7-9-30(28(20-24)42-32(45)23-52-19-18-51-17-16-50-15-11-39)53-14-3-13-40-31-10-8-25-4-2-12-41-33(25)43-31/h1,5-10,20,22,29,44H,2-4,11-19,21,23,39H2,(H,42,45)(H,46,47)(H2,40,41,43)/t29-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120523
PNG
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25|
Show InChI InChI=1S/C25H28N4O3/c30-23(10-5-13-26-25-28-21-8-3-4-9-22(21)29-25)27-16-17-11-12-18-6-1-2-7-20(18)19(14-17)15-24(31)32/h1-4,6-9,11,19H,5,10,12-16H2,(H,27,30)(H,31,32)(H2,26,28,29)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from human integrin alphaV-beta5


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378330
PNG
(CHEMBL583966)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C35H45F3N4O10S/c1-25-10-12-40-32(20-25)39-11-3-4-13-52-31-9-8-26(21-29(31)41-33(43)24-51-19-18-50-17-16-49-15-14-48-2)22-30(34(44)45)42-53(46,47)28-7-5-6-27(23-28)35(36,37)38/h5-10,12,20-21,23,30,42H,3-4,11,13-19,22,24H2,1-2H3,(H,39,40)(H,41,43)(H,44,45)/t30-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50078571
PNG
((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38)/t30-/m1/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B)


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378335
PNG
(CHEMBL574135)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C29H31F3N4O6S/c1-18(37)34-24-15-19(9-12-26(24)42-14-4-7-22-11-10-20-5-3-13-33-27(20)35-22)16-25(28(38)39)36-43(40,41)23-8-2-6-21(17-23)29(30,31)32/h2,6,8-12,15,17,25,36H,3-5,7,13-14,16H2,1H3,(H,33,35)(H,34,37)(H,38,39)/t25-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50120523
PNG
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25|
Show InChI InChI=1S/C25H28N4O3/c30-23(10-5-13-26-25-28-21-8-3-4-9-22(21)29-25)27-16-17-11-12-18-6-1-2-7-20(18)19(14-17)15-24(31)32/h1-4,6-9,11,19H,5,10,12-16H2,(H,27,30)(H,31,32)(H2,26,28,29)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of vitronectin from human integrin alphaV-beta5


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378326
PNG
(CHEMBL568500)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)c1 |r|
Show InChI InChI=1S/C26H29F3N4O5S/c1-17-9-11-32-24(13-17)31-10-2-3-12-38-23-8-7-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-6-4-5-19(16-20)26(27,28)29/h4-9,11,13-14,16,22,33H,2-3,10,12,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378327
PNG
(CHEMBL575868)
Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r|
Show InChI InChI=1S/C28H31F3N4O6S/c1-18-10-12-33-26(14-18)32-11-3-4-13-41-25-9-8-20(15-23(25)34-19(2)36)16-24(27(37)38)35-42(39,40)22-7-5-6-21(17-22)28(29,30)31/h5-10,12,14-15,17,24,35H,3-4,11,13,16H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t24-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378337
PNG
(CHEMBL584588)
Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C41H57F3N6O12S/c42-41(43,44)32-5-1-6-33(28-32)63(54,55)50-35(40(52)53)27-30-7-9-36(62-14-3-13-46-37-10-8-31-4-2-12-47-39(31)49-37)34(26-30)48-38(51)29-61-25-24-60-23-22-59-21-20-58-19-18-57-17-16-56-15-11-45/h1,5-10,26,28,35,50H,2-4,11-25,27,29,45H2,(H,48,51)(H,52,53)(H2,46,47,49)/t35-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Bioorg Med Chem Lett 9: 1691-6 (1999)


BindingDB Entry DOI: 10.7270/Q20002K2
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378329
PNG
(CHEMBL573907)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCOCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C40H56F3N5O12S/c1-30-9-12-46-37(25-30)45-11-2-3-13-60-36-8-7-31(27-35(39(50)51)48-61(52,53)33-6-4-5-32(28-33)40(41,42)43)26-34(36)47-38(49)29-59-24-23-58-22-21-57-20-19-56-18-17-55-16-15-54-14-10-44/h4-9,12,25-26,28,35,48H,2-3,10-11,13-24,27,29,44H2,1H3,(H,45,46)(H,47,49)(H,50,51)/t35-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120516
PNG
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21|
Show InChI InChI=1S/C23H27N3O3/c27-22(9-5-13-25-21-8-3-4-12-24-21)26-16-17-10-11-18-6-1-2-7-20(18)19(14-17)15-23(28)29/h1-4,6-8,10,12,19H,5,9,11,13-16H2,(H,24,25)(H,26,27)(H,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378323
PNG
(CHEMBL565478)
Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1 |r|
Show InChI InChI=1S/C24H30F3N5O5S/c25-24(26,27)17-5-3-6-18(15-17)38(35,36)32-20(22(33)34)14-16-7-8-21(19(28)13-16)37-12-2-1-9-29-23-30-10-4-11-31-23/h3,5-8,13,15,20,32H,1-2,4,9-12,14,28H2,(H,33,34)(H2,29,30,31)/t20-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50120518
PNG
((7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc12 |c:22|
Show InChI InChI=1S/C24H29N3O3/c28-23(10-4-6-14-26-22-9-3-5-13-25-22)27-17-18-11-12-19-7-1-2-8-21(19)20(15-18)16-24(29)30/h1-3,5,7-9,11,13,20H,4,6,10,12,14-17H2,(H,25,26)(H,27,28)(H,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3


Bioorg Med Chem Lett 12: 3291-6 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378328
PNG
(CHEMBL573683)
Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCN)c1 |r|
Show InChI InChI=1S/C34H44F3N5O9S/c1-24-9-12-40-31(19-24)39-11-2-3-13-51-30-8-7-25(20-28(30)41-32(43)23-50-18-17-49-16-15-48-14-10-38)21-29(33(44)45)42-52(46,47)27-6-4-5-26(22-27)34(35,36)37/h4-9,12,19-20,22,29,42H,2-3,10-11,13-18,21,23,38H2,1H3,(H,39,40)(H,41,43)(H,44,45)/t29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50452012
PNG
(CHEMBL2110187)
Show SMILES Clc1cccc(c1)N1Cc2ccccc2C[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Show InChI InChI=1S/C28H24ClN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2/t27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378334
PNG
(CHEMBL566776)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C28H31F3N4O5S/c29-28(30,31)20-6-3-8-22(17-20)41(38,39)35-24(27(36)37)16-18-9-12-25(23(32)15-18)40-14-2-1-7-21-11-10-19-5-4-13-33-26(19)34-21/h3,6,8-12,15,17,24,35H,1-2,4-5,7,13-14,16,32H2,(H,33,34)(H,36,37)/t24-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131944
PNG
(2-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-5-(...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H22N4O3S/c30-24-20-3-1-2-4-21(20)27-28-29(24)15-18-7-10-22(23(18)25(31)32)33-19-8-5-16(6-9-19)17-11-13-26-14-12-17/h1-6,8-9,11-14,18,22-23H,7,10,15H2,(H,31,32)/t18-,22-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50378324
PNG
(CHEMBL567645)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccccn1 |r|
Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)17-5-3-6-18(15-17)37(34,35)31-20(23(32)33)14-16-8-9-21(19(28)13-16)36-12-4-11-30-22-7-1-2-10-29-22/h1-3,5-10,13,15,20,31H,4,11-12,14,28H2,(H,29,30)(H,32,33)/t20-/m0/s1
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Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
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