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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50456796'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50456796
PNG
(CHEMBL4210262)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)S(O)(=O)=O |r|
Show InChI InChI=1S/C36H44N2O6S/c1-23(2)28-21-25-12-17-32-35(3,29(25)22-31(28)45(41,42)43)18-9-19-36(32,4)34(40)38-30(20-24-10-7-6-8-11-24)33(39)37-26-13-15-27(44-5)16-14-26/h6-8,10-11,13-16,21-23,30,32H,9,12,17-20H2,1-5H3,(H,37,39)(H,38,40)(H,41,42,43)/t30-,32+,35+,36+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...


Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair