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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 = 'BDBM50073890'   
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))
BDBM50073890
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 24n/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