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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50062478   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
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MMDB

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Article
PubMed
537n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50062478
PNG
(CHEMBL116641 | N-Hydroxy-2-isobutyl-N'-(3-phenyl-p...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
540n/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