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Articleid 50029790

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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)
BDBM50287924
PNG
((S)-2-[(2-Chloro-acetyl)-hydroxy-amino]-4-methyl-p...)
Show SMILES COC(=O)[C@H](CC(C)C)N(O)C(=O)CCl
Show InChI InChI=1S/C9H16ClNO4/c1-6(2)4-7(9(13)15-3)11(14)8(12)5-10/h6-7,14H,4-5H2,1-3H3/t7-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against thermolysin expressed as Ki


Bioorg Med Chem Lett 6: 153-156 (1996)


Article DOI: 10.1016/0960-894X(95)00576-F
BindingDB Entry DOI: 10.7270/Q2028RJM
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50287924
PNG
((S)-2-[(2-Chloro-acetyl)-hydroxy-amino]-4-methyl-p...)
Show SMILES COC(=O)[C@H](CC(C)C)N(O)C(=O)CCl
Show InChI InChI=1S/C9H16ClNO4/c1-6(2)4-7(9(13)15-3)11(14)8(12)5-10/h6-7,14H,4-5H2,1-3H3/t7-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
7.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against thermolysin expressed as Ki


Bioorg Med Chem Lett 6: 153-156 (1996)


Article DOI: 10.1016/0960-894X(95)00576-F
BindingDB Entry DOI: 10.7270/Q2028RJM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%