Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50029633 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50031790
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50062351
((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 | PDB
MMDB
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| Article
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031795
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50062351
((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 | PDB
MMDB
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| Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50031784
((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 | PDB
MMDB
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PC cid
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UniChem
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| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50286354
((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 | PDB
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| Article
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50031795
((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 | PDB
MMDB
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| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((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 | PDB
MMDB
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| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031778
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031784
((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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286354
((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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031790
((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 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50031778
((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 | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
Patents
Similars
| Article
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50031770
((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 | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286352
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031795
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031784
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50286352
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50286355
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031790
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286351
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286355
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286351
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286355
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50089194
((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 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
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| Article
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50089194
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
CHEMBL
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MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50089194
((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 | PDB
MMDB
Reactome pathway
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CHEMBL
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PC sid
PDB
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| Article
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50286353
((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 | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286352
((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 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031778
((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 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031770
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286353
((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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-9
(Homo sapiens (Human)) | BDBM50286351
((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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286354
((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 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286353
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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