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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50243038'   
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))
BDBM50243038
PNG
(CHEMBL4092752)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnccc4o3)C(=O)c2c1 |r|
Show InChI InChI=1S/C20H16N4O5/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G
More data for this
Ligand-Target Pair