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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-14' and Ligand = 'BDBM50239950'   
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))
BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 expressed in Escherichia coli using fTHP-15 as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem 26: 4984-4995 (2018)


Article DOI: 10.1016/j.bmc.2018.08.020
BindingDB Entry DOI: 10.7270/Q25141SR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...


J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair