Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50011306 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 |
|---|
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/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 |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104962
(CHEMBL325048 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104966
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,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
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104962
(CHEMBL325048 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104962
(CHEMBL325048 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104962
(CHEMBL325048 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104966
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,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
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104971
(CHEMBL115712 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 303 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104966
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,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
| 408 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104966
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,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
| 946 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104971
(CHEMBL115712 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104970
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104971
(CHEMBL115712 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104971
(CHEMBL115712 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104970
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104964
(CHEMBL323874 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc12 Show InChI InChI=1S/C20H22N2O4/c23-16-8-5-13(6-9-16)11-15(12-19(24)22-26)20(25)21-18-10-7-14-3-1-2-4-17(14)18/h1-6,8-9,15,18,23,26H,7,10-12H2,(H,21,25)(H,22,24)/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104970
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104964
(CHEMBL323874 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc12 Show InChI InChI=1S/C20H22N2O4/c23-16-8-5-13(6-9-16)11-15(12-19(24)22-26)20(25)21-18-10-7-14-3-1-2-4-17(14)18/h1-6,8-9,15,18,23,26H,7,10-12H2,(H,21,25)(H,22,24)/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104972
(2-Benzo[1,3]dioxol-5-ylmethyl-N*4*-hydroxy-N*1*-(2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C21H22N2O6/c24-16-9-13-3-1-2-4-15(13)20(16)22-21(26)14(10-19(25)23-27)7-12-5-6-17-18(8-12)29-11-28-17/h1-6,8,14,16,20,24,27H,7,9-11H2,(H,22,26)(H,23,25)/t14-,16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104964
(CHEMBL323874 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc12 Show InChI InChI=1S/C20H22N2O4/c23-16-8-5-13(6-9-16)11-15(12-19(24)22-26)20(25)21-18-10-7-14-3-1-2-4-17(14)18/h1-6,8-9,15,18,23,26H,7,10-12H2,(H,21,25)(H,22,24)/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104972
(2-Benzo[1,3]dioxol-5-ylmethyl-N*4*-hydroxy-N*1*-(2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C21H22N2O6/c24-16-9-13-3-1-2-4-15(13)20(16)22-21(26)14(10-19(25)23-27)7-12-5-6-17-18(8-12)29-11-28-17/h1-6,8,14,16,20,24,27H,7,9-11H2,(H,22,26)(H,23,25)/t14-,16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104972
(2-Benzo[1,3]dioxol-5-ylmethyl-N*4*-hydroxy-N*1*-(2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C21H22N2O6/c24-16-9-13-3-1-2-4-15(13)20(16)22-21(26)14(10-19(25)23-27)7-12-5-6-17-18(8-12)29-11-28-17/h1-6,8,14,16,20,24,27H,7,9-11H2,(H,22,26)(H,23,25)/t14-,16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104972
(2-Benzo[1,3]dioxol-5-ylmethyl-N*4*-hydroxy-N*1*-(2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C21H22N2O6/c24-16-9-13-3-1-2-4-15(13)20(16)22-21(26)14(10-19(25)23-27)7-12-5-6-17-18(8-12)29-11-28-17/h1-6,8,14,16,20,24,27H,7,9-11H2,(H,22,26)(H,23,25)/t14-,16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104964
(CHEMBL323874 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc12 Show InChI InChI=1S/C20H22N2O4/c23-16-8-5-13(6-9-16)11-15(12-19(24)22-26)20(25)21-18-10-7-14-3-1-2-4-17(14)18/h1-6,8-9,15,18,23,26H,7,10-12H2,(H,21,25)(H,22,24)/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104970
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
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