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PubMed code 9934463

Compile data set for download or QSAR
Found 6 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)
BDBM50073210
PNG
((S)-2-Benzyl-3-(formyl-hydroxy-amino)-N-methyl-pro...)
Show SMILES CNC(=O)[C@H](CN(O)C=O)Cc1ccccc1
Show InChI InChI=1S/C12H16N2O3/c1-13-12(16)11(8-14(17)9-15)7-10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,13,16)/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.66E+3n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50073212
PNG
((S)-2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pen...)
Show SMILES COC(=O)[C@@H](CC(C)C)CN(O)C=O
Show InChI InChI=1S/C9H17NO4/c1-7(2)4-8(9(12)14-3)5-10(13)6-11/h6-8,13H,4-5H2,1-3H3/t8-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.25E+4n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50073213
PNG
((R)-2-(Formyl-hydroxy-amino)-4-methyl-pentanoic ac...)
Show SMILES COC(=O)[C@@H](CC(C)C)N(O)C=O
Show InChI InChI=1S/C8H15NO4/c1-6(2)4-7(8(11)13-3)9(12)5-10/h5-7,12H,4H2,1-3H3/t7-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50073214
PNG
((R)-2-Benzyl-3-(formyl-hydroxy-amino)-N-methyl-pro...)
Show SMILES CNC(=O)[C@@H](CN(O)C=O)Cc1ccccc1
Show InChI InChI=1S/C12H16N2O3/c1-13-12(16)11(8-14(17)9-15)7-10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,13,16)/t11-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.82E+4n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50073215
PNG
((S)-3-(Acetyl-hydroxy-amino)-2-benzyl-N-methyl-pro...)
Show SMILES CNC(=O)[C@H](CN(O)C(C)=O)Cc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15(18)9-12(13(17)14-2)8-11-6-4-3-5-7-11/h3-7,12,18H,8-9H2,1-2H3,(H,14,17)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.95E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50073211
PNG
((S)-2-Benzyl-3-(hydroxy-propionyl-amino)-N-methyl-...)
Show SMILES CCC(=O)N(O)C[C@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C14H20N2O3/c1-3-13(17)16(19)10-12(14(18)15-2)9-11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3,(H,15,18)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.50E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin


Bioorg Med Chem Lett 8: 3515-8 (1999)


BindingDB Entry DOI: 10.7270/Q2S46R49
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%