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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50062462   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50062462
PNG
(2-Hydroxycarbamoyl-4-phenyl-butyric acid ethyl est...)
Show SMILES CCOC(=O)C(CCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H17NO4/c1-2-18-13(16)11(12(15)14-17)9-8-10-6-4-3-5-7-10/h3-7,11,17H,2,8-9H2,1H3,(H,14,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.89E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8 (Human neutrophil collagenase, MMP-8)


J Med Chem 41: 339-45 (1998)


Article DOI: 10.1021/jm9706426
BindingDB Entry DOI: 10.7270/Q2639NWF
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50062462
PNG
(2-Hydroxycarbamoyl-4-phenyl-butyric acid ethyl est...)
Show SMILES CCOC(=O)C(CCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H17NO4/c1-2-18-13(16)11(12(15)14-17)9-8-10-6-4-3-5-7-10/h3-7,11,17H,2,8-9H2,1H3,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.91E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair