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PubMed code 9871678

Compile data set for download or QSAR
Found 8 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)
BDBM50025915
PNG
(CHEMBL16622 | [2-Benzyl-3-(formyl-hydroxy-amino)-p...)
Show SMILES ON(CC(Cc1ccccc1)C(=O)NCC(O)=O)C=O
Show InChI InChI=1S/C13H16N2O5/c16-9-15(20)8-11(13(19)14-7-12(17)18)6-10-4-2-1-3-5-10/h1-5,9,11,20H,6-8H2,(H,14,19)(H,17,18)
PDB
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PubMed
3.40E+4n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069976
PNG
((3Z)-2-benzyl-3-[benzyl(oxido)imino]propanamide | ...)
Show SMILES NC(=O)C(Cc1ccccc1)\C=[N+](/[O-])Cc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c18-17(20)16(11-14-7-3-1-4-8-14)13-19(21)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H2,18,20)/b19-13-
PDB
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UniChem
PubMed
4.00E+4n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069975
PNG
(({(3Z)-2-benzyl-3-[benzyl(oxido)imino]propanoyl}am...)
Show SMILES OC(=O)CNC(=O)C(Cc1ccccc1)\C=[N+](/[O-])Cc1ccccc1
Show InChI InChI=1S/C19H20N2O4/c22-18(23)12-20-19(24)17(11-15-7-3-1-4-8-15)14-21(25)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,20,24)(H,22,23)/b21-14-
PDB
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PubMed
5.40E+4n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069977
PNG
(CHEMBL325732 | methyl (3Z)-2-benzyl-3-[benzyl(oxid...)
Show SMILES COC(=O)C(Cc1ccccc1)\C=[N+](/[O-])Cc1ccccc1
Show InChI InChI=1S/C18H19NO3/c1-22-18(20)17(12-15-8-4-2-5-9-15)14-19(21)13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/b19-14-
PDB
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PubMed
8.20E+4n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069978
PNG
(CHEMBL111741 | methyl 2-benzyl-3-[(Z)-benzylidene(...)
Show SMILES COC(=O)C(Cc1ccccc1)C\[N+]([O-])=C\c1ccccc1
Show InChI InChI=1S/C18H19NO3/c1-22-18(20)17(12-15-8-4-2-5-9-15)14-19(21)13-16-10-6-3-7-11-16/h2-11,13,17H,12,14H2,1H3/b19-13-
PDB
MMDB

UniProtKB/SwissProt

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UniChem
PubMed
2.44E+5n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50025924
PNG
(3-Benzyl-N-carboxymethyl-succinamic acid | CHEMBL1...)
Show SMILES OC(=O)CNC(=O)C(CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C13H15NO5/c15-11(16)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
3.40E+5n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069980
PNG
(2-[(Z)-benzylidene(oxido)amino]-3-phenylpropanamid...)
Show SMILES NC(=O)C(Cc1ccccc1)[N+](\[O-])=C\c1ccccc1
Show InChI InChI=1S/C16H16N2O2/c17-16(19)15(11-13-7-3-1-4-8-13)18(20)12-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,17,19)/b18-12-
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem
PubMed
7.74E+5n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50069979
PNG
(CHEMBL110107 | methyl 2-[(Z)-benzylidene(oxido)ami...)
Show SMILES COC(=O)C(Cc1ccccc1)[N+](\[O-])=C\c1ccccc1
Show InChI InChI=1S/C17H17NO3/c1-21-17(19)16(12-14-8-4-2-5-9-14)18(20)13-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/b18-13-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.91E+6n/an/an/an/an/an/a7.2n/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2


Bioorg Med Chem Lett 8: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q2WM1CJ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%