Found 6 hits of Enzyme Inhibition Constant Data 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 |
|---|
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286145
((S)-2-((R)-2-Hydroxycarbamoylmethyl-heptanoyl)-hex...)Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N1NCCC[C@H]1C(=O)N[C@H](C(C)CC)C(=O)CC Show InChI InChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(28)25-31)22(30)26-17(12-10-13-23-26)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,23,31H,5-14H2,1-4H3,(H,24,29)(H,25,28)/t15?,16-,17+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286142
((S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-penta...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N1NCCC[C@H]1C(O)=O Show InChI InChI=1S/C13H23N3O5/c1-8(2)6-9(7-11(17)15-21)12(18)16-10(13(19)20)4-3-5-14-16/h8-10,14,21H,3-7H2,1-2H3,(H,15,17)(H,19,20)/t9-,10+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286143
((S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-penta...)Show SMILES COC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C14H25N3O5/c1-9(2)7-10(8-12(18)16-21)13(19)17-11(14(20)22-3)5-4-6-15-17/h9-11,15,21H,4-8H2,1-3H3,(H,16,18)/t10-,11+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286140
((R)-3-((S)-6-Hydroxymethyl-tetrahydro-pyridazine-1...)Show InChI InChI=1S/C13H25N3O4/c1-9(2)6-10(7-12(18)15-20)13(19)16-11(8-17)4-3-5-14-16/h9-11,14,17,20H,3-8H2,1-2H3,(H,15,18)/t10-,11+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286144
((R)-5-Methyl-3-(tetrahydro-pyridazine-1-carbonyl)-...)Show InChI InChI=1S/C12H23N3O3/c1-9(2)7-10(8-11(16)14-18)12(17)15-6-4-3-5-13-15/h9-10,13,18H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50286141
((R)-3-((S)-6-Methoxymethyl-tetrahydro-pyridazine-1...)Show InChI InChI=1S/C14H27N3O4/c1-10(2)7-11(8-13(18)16-20)14(19)17-12(9-21-3)5-4-6-15-17/h10-12,15,20H,4-9H2,1-3H3,(H,16,18)/t11-,12+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3) |
Bioorg Med Chem Lett 5: 3053-3056 (1995)
Article DOI: 10.1016/0960-894X(95)00536-1
BindingDB Entry DOI: 10.7270/Q2GM878P |
More data for this
Ligand-Target Pair | |
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