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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50283716'   
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))
BDBM50283716
PNG
((S)-3-(((S)-3-cyclohexyl-1-oxo-1-(phenethylamino)p...)
Show SMILES OC(=O)C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H40N2O4/c33-28(34)22-26(18-10-17-23-11-4-1-5-12-23)29(35)32-27(21-25-15-8-3-9-16-25)30(36)31-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-27H,3,8-10,15-22H2,(H,31,36)(H,32,35)(H,33,34)/t26-,27-/m0/s1
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Similars

Article
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Stromelysin enzyme was determined from purified NSO cells.


Bioorg Med Chem Lett 4: 2747-2752 (1994)


Article DOI: 10.1016/S0960-894X(01)80588-6
BindingDB Entry DOI: 10.7270/Q2JH3M3P
More data for this
Ligand-Target Pair