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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'pulvino' and Initial = 'ta'   
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
Collagenase


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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0.690n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50286354
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50286354
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1
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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031770
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50286352
PNG
((R)-2-(4-Benzyloxy-butyl)-N*1*-((S)-2,2-dimethyl-1...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H35N3O5/c1-22(2,3)19(21(28)23-4)24-20(27)17(14-18(26)25-29)12-8-9-13-30-15-16-10-6-5-7-11-16/h5-7,10-11,17,19,29H,8-9,12-15H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50286352
PNG
((R)-2-(4-Benzyloxy-butyl)-N*1*-((S)-2,2-dimethyl-1...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H35N3O5/c1-22(2,3)19(21(28)23-4)24-20(27)17(14-18(26)25-29)12-8-9-13-30-15-16-10-6-5-7-11-16/h5-7,10-11,17,19,29H,8-9,12-15H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286354
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031770
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50286355
PNG
((R)-2-Ethyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C18H24N4O4/c1-3-11(9-16(23)22-26)17(24)21-15(18(25)19-2)8-12-10-20-14-7-5-4-6-13(12)14/h4-7,10-11,15,20,26H,3,8-9H2,1-2H3,(H,19,25)(H,21,24)(H,22,23)/t11-,15+/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286352
PNG
((R)-2-(4-Benzyloxy-butyl)-N*1*-((S)-2,2-dimethyl-1...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H35N3O5/c1-22(2,3)19(21(28)23-4)24-20(27)17(14-18(26)25-29)12-8-9-13-30-15-16-10-6-5-7-11-16/h5-7,10-11,17,19,29H,8-9,12-15H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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89n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
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>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50286355
PNG
((R)-2-Ethyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C18H24N4O4/c1-3-11(9-16(23)22-26)17(24)21-15(18(25)19-2)8-12-10-20-14-7-5-4-6-13(12)14/h4-7,10-11,15,20,26H,3,8-9H2,1-2H3,(H,19,25)(H,21,24)(H,22,23)/t11-,15+/m1/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286355
PNG
((R)-2-Ethyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C18H24N4O4/c1-3-11(9-16(23)22-26)17(24)21-15(18(25)19-2)8-12-10-20-14-7-5-4-6-13(12)14/h4-7,10-11,15,20,26H,3,8-9H2,1-2H3,(H,19,25)(H,21,24)(H,22,23)/t11-,15+/m1/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50286353
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO
Show InChI InChI=1S/C17H22N4O4/c1-10(7-15(22)21-25)16(23)20-14(17(24)18-2)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,14,19,25H,7-8H2,1-2H3,(H,18,24)(H,20,23)(H,21,22)/t10-,14+/m1/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286352
PNG
((R)-2-(4-Benzyloxy-butyl)-N*1*-((S)-2,2-dimethyl-1...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H35N3O5/c1-22(2,3)19(21(28)23-4)24-20(27)17(14-18(26)25-29)12-8-9-13-30-15-16-10-6-5-7-11-16/h5-7,10-11,17,19,29H,8-9,12-15H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031770
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286355
PNG
((R)-2-Ethyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C18H24N4O4/c1-3-11(9-16(23)22-26)17(24)21-15(18(25)19-2)8-12-10-20-14-7-5-4-6-13(12)14/h4-7,10-11,15,20,26H,3,8-9H2,1-2H3,(H,19,25)(H,21,24)(H,22,23)/t11-,15+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50286353
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO
Show InChI InChI=1S/C17H22N4O4/c1-10(7-15(22)21-25)16(23)20-14(17(24)18-2)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,14,19,25H,7-8H2,1-2H3,(H,18,24)(H,20,23)(H,21,22)/t10-,14+/m1/s1
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Article
4.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
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Article
5.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286354
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1
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8.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286353
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO
Show InChI InChI=1S/C17H22N4O4/c1-10(7-15(22)21-25)16(23)20-14(17(24)18-2)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,14,19,25H,7-8H2,1-2H3,(H,18,24)(H,20,23)(H,21,22)/t10-,14+/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286353
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)CC(=O)NO
Show InChI InChI=1S/C17H22N4O4/c1-10(7-15(22)21-25)16(23)20-14(17(24)18-2)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,14,19,25H,7-8H2,1-2H3,(H,18,24)(H,20,23)(H,21,22)/t10-,14+/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair