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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50129202'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50129202
PNG
((S)-2-Amino-4-methyl-pentanoic acid hydroxyamide |...)
Show SMILES CC(C)C[C@H](N)C(=O)NO
Show InChI InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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MMDB
PDB
Article
PubMed
n/an/an/a 1.91E+5n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against Thermolysin


J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)