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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 = 'BDBM50291448'   
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))
BDBM50291448
PNG
((S)-2-(3-Mercapto-propionylamino)-4-methyl-pentano...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCS
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)

More data for this
Ligand-Target Pair