Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50035044 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)) | BDBM50076991
((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076993
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/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
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076995
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076989
((2S,11S,12R)-12-Isobutyl-7-(1-methyl-1H-imidazole-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C22H38N6O6S/c1-15(2)12-17-16(21(30)26-32)8-7-11-28(35(33,34)19-13-27(4)14-24-19)10-6-5-9-18(22(31)23-3)25-20(17)29/h13-18,32H,5-12H2,1-4H3,(H,23,31)(H,25,29)(H,26,30)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076991
((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076994
((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076995
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076990
((2S,11S,12R)-12-Isobutyl-13-oxo-7-trifluoromethane...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C19H33F3N4O6S/c1-12(2)11-14-13(17(28)25-30)7-6-10-26(33(31,32)19(20,21)22)9-5-4-8-15(18(29)23-3)24-16(14)27/h12-15,30H,4-11H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076992
((2S,11S,12R)-7-(4-Amino-benzenesulfonyl)-12-isobut...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O6S/c1-16(2)15-20-19(23(31)28-33)7-6-14-29(36(34,35)18-11-9-17(25)10-12-18)13-5-4-8-21(24(32)26-3)27-22(20)30/h9-12,16,19-21,33H,4-8,13-15,25H2,1-3H3,(H,26,32)(H,27,30)(H,28,31)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076992
((2S,11S,12R)-7-(4-Amino-benzenesulfonyl)-12-isobut...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O6S/c1-16(2)15-20-19(23(31)28-33)7-6-14-29(36(34,35)18-11-9-17(25)10-12-18)13-5-4-8-21(24(32)26-3)27-22(20)30/h9-12,16,19-21,33H,4-8,13-15,25H2,1-3H3,(H,26,32)(H,27,30)(H,28,31)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076994
((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076989
((2S,11S,12R)-12-Isobutyl-7-(1-methyl-1H-imidazole-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C22H38N6O6S/c1-15(2)12-17-16(21(30)26-32)8-7-11-28(35(33,34)19-13-27(4)14-24-19)10-6-5-9-18(22(31)23-3)25-20(17)29/h13-18,32H,5-12H2,1-4H3,(H,23,31)(H,25,29)(H,26,30)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076995
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076991
((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076990
((2S,11S,12R)-12-Isobutyl-13-oxo-7-trifluoromethane...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C19H33F3N4O6S/c1-12(2)11-14-13(17(28)25-30)7-6-10-26(33(31,32)19(20,21)22)9-5-4-8-15(18(29)23-3)24-16(14)27/h12-15,30H,4-11H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-1 (human fibroblast collagenase) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076989
((2S,11S,12R)-12-Isobutyl-7-(1-methyl-1H-imidazole-...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C22H38N6O6S/c1-15(2)12-17-16(21(30)26-32)8-7-11-28(35(33,34)19-13-27(4)14-24-19)10-6-5-9-18(22(31)23-3)25-20(17)29/h13-18,32H,5-12H2,1-4H3,(H,23,31)(H,25,29)(H,26,30)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076993
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076994
((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076992
((2S,11S,12R)-7-(4-Amino-benzenesulfonyl)-12-isobut...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O6S/c1-16(2)15-20-19(23(31)28-33)7-6-14-29(36(34,35)18-11-9-17(25)10-12-18)13-5-4-8-21(24(32)26-3)27-22(20)30/h9-12,16,19-21,33H,4-8,13-15,25H2,1-3H3,(H,26,32)(H,27,30)(H,28,31)/t19-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076990
((2S,11S,12R)-12-Isobutyl-13-oxo-7-trifluoromethane...)Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C19H33F3N4O6S/c1-12(2)11-14-13(17(28)25-30)7-6-10-26(33(31,32)19(20,21)22)9-5-4-8-15(18(29)23-3)24-16(14)27/h12-15,30H,4-11H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)/t13-,14+,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin) |
Bioorg Med Chem Lett 9: 1279-84 (1999)
BindingDB Entry DOI: 10.7270/Q2T43TK4 |
More data for this
Ligand-Target Pair | |
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