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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50062474'   
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))
BDBM50062474
PNG
(2,N-Dibenzyl-N'-hydroxy-malonamide | 2N-dibenzyl-N...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.09E+3n/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))
BDBM50062474
PNG
(2,N-Dibenzyl-N'-hydroxy-malonamide | 2N-dibenzyl-N...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.10E+3n/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