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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50456790'   
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))
BDBM50456790
PNG
(CHEMBL4214436)
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)Nc1ccccc1OC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)38-32-37-26-27-47-51(3,28-17-29-52(47,4)50(59)55-42(30-35-18-9-7-10-19-35)48(57)53-40-22-13-15-24-44(40)62-5)39(37)33-46(38)64(60,61)56-43(31-36-20-11-8-12-21-36)49(58)54-41-23-14-16-25-45(41)63-6/h7-16,18-25,32-34,42-43,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,47+,51+,52+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.38E+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