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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-14' and Ligand = 'BDBM50518293'   
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))
BDBM50518293
PNG
(CHEMBL4518217)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C62H58N8O16S2/c1-85-45-22-14-39(15-23-45)41-18-26-47(27-19-41)87(81,82)69(53(57(73)65-79)30-34-67-59(75)49-10-3-4-11-50(49)60(67)76)36-32-63-55(71)43-8-7-9-44(38-43)56(72)64-33-37-70(88(83,84)48-28-20-42(21-29-48)40-16-24-46(86-2)25-17-40)54(58(74)66-80)31-35-68-61(77)51-12-5-6-13-52(51)62(68)78/h3-29,38,53-54,79-80H,30-37H2,1-2H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t53-,54-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair