Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50011164 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 |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103099
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103097
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103097
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103092
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103102
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103096
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103098
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103093
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103092
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103099
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103098
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103102
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103097
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103093
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103095
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103101
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103100
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(N)=O)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-11(10(3)18(22)8-19)14(21)17-12(13(16)20)15(4,5)6/h8-12,22H,7H2,1-6H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103098
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103102
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103101
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 (MMP3) |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103093
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103099
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103099
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 (MMP3) |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103095
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103096
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103101
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103094
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103101
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103096
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103095
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103093
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103096
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103094
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103102
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103097
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 (MMP3) |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103092
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103095
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 153 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 (MMP3) |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103100
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(N)=O)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-11(10(3)18(22)8-19)14(21)17-12(13(16)20)15(4,5)6/h8-12,22H,7H2,1-6H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103094
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103100
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(N)=O)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-11(10(3)18(22)8-19)14(21)17-12(13(16)20)15(4,5)6/h8-12,22H,7H2,1-6H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103094
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 354 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103100
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(N)=O)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-11(10(3)18(22)8-19)14(21)17-12(13(16)20)15(4,5)6/h8-12,22H,7H2,1-6H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 406 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103098
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103092
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
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