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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9 (MMP-9)' and Ligand = 'BDBM50073894'   
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-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073894
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccs1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N2O3S2/c1-2-28-18-10-12-23(16-29,13-11-18)22(27)25-20(15-19-9-6-14-30-19)21(26)24-17-7-4-3-5-8-17/h3-9,14,18,20,29H,2,10-13,15-16H2,1H3,(H,24,26)(H,25,27)/t18-,20-,23+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 42n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Citation and Details
More data for this
Ligand-Target Pair