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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50035237'   
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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair