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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-14' and Ligand = 'BDBM50264811'   
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
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry


J Med Chem 54: 6676-90 (2011)


Article DOI: 10.1021/jm200566e
BindingDB Entry DOI: 10.7270/Q2D79BSM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.30E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI: 10.7270/Q2GB281X
More data for this
Ligand-Target Pair