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Compile Data Set for Download or QSAR

Found 762 hits with Last Name = 'casara' and Initial = 'p'   
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
Peptidyl-glycine alpha-amidating monooxygenase


(Homo sapiens (Human))
BDBM50288771
PNG
(((E)-Styrylsulfanyl)-acetic acid | CHEMBL127222)
Show SMILES OC(=O)CS\C=C\c1ccccc1
Show InChI InChI=1S/C10H10O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition of peptidylglycine alpha hydroxylating monooxygenase (PHM) was determined


Bioorg Med Chem Lett 6: 393-396 (1996)


Article DOI: 10.1016/0960-894X(96)00041-8
BindingDB Entry DOI: 10.7270/Q24J0F33
More data for this
Ligand-Target Pair
Peptidyl-glycine alpha-amidating monooxygenase


(Homo sapiens (Human))
BDBM50288770
PNG
(CHEMBL335660 | Phenylethynylsulfanyl-acetic acid)
Show SMILES OC(=O)CSC#Cc1ccccc1
Show InChI InChI=1S/C10H8O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,8H2,(H,11,12)
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0.190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition of peptidylglycine alpha hydroxylating monooxygenase (PHM) was determined


Bioorg Med Chem Lett 6: 393-396 (1996)


Article DOI: 10.1016/0960-894X(96)00041-8
BindingDB Entry DOI: 10.7270/Q24J0F33
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50015358
PNG
(CHEMBL417844 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE...)
Show SMILES C=C=CCNCCCCNCC=C=C
Show InChI InChI=1/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026232
PNG
(CHEMBL293698 | N-Buta-2,3-dienyl-N'-methyl-butane-...)
Show SMILES CNCCCCNCC=C=C
Show InChI InChI=1/C9H18N2/c1-3-4-8-11-9-6-5-7-10-2/h4,10-11H,1,5-9H2,2H3
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026231
PNG
(CHEMBL59622 | N*1*-Buta-2,3-dienyl-butane-1,4-diam...)
Show SMILES NCCCCNCC=C=C
Show InChI InChI=1/C8H16N2/c1-2-3-7-10-8-5-4-6-9/h3,10H,1,4-9H2
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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
Show InChI InChI=1/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+/s2
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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
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026230
PNG
(CHEMBL59623 | N-Methyl-N'-prop-2-ynyl-butane-1,4-d...)
Show SMILES CNCCCCNCC#C
Show InChI InChI=1S/C8H16N2/c1-3-6-10-8-5-4-7-9-2/h1,9-10H,4-8H2,2H3
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3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
More data for this
Ligand-Target Pair
Acetylpolyamine oxidase (APAO)


(Homo sapiens (Human))
BDBM50026233
PNG
(CHEMBL292770 | N*1*-Prop-2-ynyl-butane-1,4-diamine)
Show SMILES NCCCCNCC#C
Show InChI InChI=1S/C7H14N2/c1-2-6-9-7-4-3-5-8/h1,9H,3-8H2
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4.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver


J Med Chem 28: 1-2 (1985)


Article DOI: 10.1021/jm00379a001
BindingDB Entry DOI: 10.7270/Q2445KHW
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=1/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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=1/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/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
Show InChI InChI=1/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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=1/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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
Show InChI InChI=1/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 0.200n/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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
Show InChI InChI=1/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 0.200n/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
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
Inhibition of Matrix metalloproteinase-9


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


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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/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
Show InChI InChI=1/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
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
Show InChI InChI=1/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 vitronectin from human integrin alphaV-beta5


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


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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
Show InChI InChI=1/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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=1/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 0.400n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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=1/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 0.5n/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
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 0.5n/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/ITGB5


(Homo sapiens (Human))
BDBM50120523
PNG
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12
Show InChI InChI=1/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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n/an/a 0.5n/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
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 0.5n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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=1/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 0.5n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
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=1/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 0.600n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
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=1/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 0.600n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
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=1/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 0.600n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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
Show InChI InChI=1/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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n/an/a 0.600n/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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
Show InChI InChI=1/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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
Show InChI InChI=1/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1016/j.bmcl.2003.11.013
BindingDB Entry DOI: 10.7270/Q2348JSW
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=1/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
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
Inhibition of Matrix metalloproteinase-3


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


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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=1/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
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
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
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=1/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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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PubMed
n/an/a 1.30n/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)


Article DOI: 10.1016/j.bmcl.2003.11.013
BindingDB Entry DOI: 10.7270/Q2348JSW
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 1.5n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


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


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
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 1.5n/an/an/an/an/an/a



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
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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n/an/a 1.60n/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
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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PubMed
n/an/a 1.60n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50131964
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(3-oxo-6,7,8...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nc3CCCCCn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O3S/c27-20-10-5-17(6-11-20)18-7-12-21(13-8-18)34-22-14-9-19(24(22)25(31)32)16-30-26(33)29-15-3-1-2-4-23(29)28-30/h5-8,10-13,19,22,24H,1-4,9,14-16H2,(H,31,32)/t19-,22-,24-/m0/s1
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n/an/a 1.70n/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
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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n/an/a 1.80n/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)


Article DOI: 10.1016/s0960-894x(00)00646-6
BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50131962
PNG
(2-(4'-Chloro-biphenyl-4-sulfonyl)-5-(4-oxo-4H-benz...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O5S/c27-19-10-5-16(6-11-19)17-7-12-20(13-8-17)36(34,35)23-14-9-18(24(23)26(32)33)15-30-25(31)21-3-1-2-4-22(21)28-29-30/h1-8,10-13,18,23-24H,9,14-15H2,(H,32,33)/t18-,23-,24-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



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
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/s2
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n/an/a 1.80n/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))
BDBM50120516
PNG
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)
Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12
Show InChI InChI=1/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 1.90n/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)


Article DOI: 10.1016/s0960-894x(02)00696-0
BindingDB Entry DOI: 10.7270/Q2TX3DRB
More data for this
Ligand-Target Pair
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