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Compile Data Set for Download or QSAR

Found 185 hits Enz. Inhib. hit(s) with Target = 'Thermolysin' AND taxid = 1427   
Target
(Institution)
LigandTarget
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)
BDBM50006111
PNG
((ZFPLA) 2-[2-(2-Benzyloxycarbonylamino-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C26H34N3O9P/c1-17(2)14-21(23(30)27-18(3)25(32)33)28-24(31)22(15-19-10-6-4-7-11-19)29(39(35,36)37)26(34)38-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)(H2,35,36,37)/t18-,21-,22-/m0/s1
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0.0680n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070927
PNG
(CHEMBL3409520)
Show SMILES [Li+].[Li+].CC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C19H30N3O7P/c1-4-15(18(24)25)21-17(23)16(10-13(2)3)22-30(27,28)12-20-19(26)29-11-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/p-2/t15-,16-/s2
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4.90n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070925
PNG
(CHEMBL3409522)
Show SMILES [Li+].[Li+].CCCC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C21H34N3O7P.2Li/c1-4-5-11-17(20(26)27)23-19(25)18(12-15(2)3)24-32(29,30)14-22-21(28)31-13-16-9-7-6-8-10-16;;/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t17-,18-;;/s2
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5.30n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070926
PNG
(CHEMBL3409521)
Show SMILES [Li+].[Li+].CCC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C20H32N3O7P/c1-4-8-16(19(25)26)22-18(24)17(11-14(2)3)23-31(28,29)13-21-20(27)30-12-15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/p-2/t16-,17-/s2
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5.5n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070924
PNG
(CHEMBL3409523)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C([O-])=O
Show InChI InChI=1/C20H32N3O7P.2Li/c1-13(2)10-16(18(24)22-17(14(3)4)19(25)26)23-31(28,29)12-21-20(27)30-11-15-8-6-5-7-9-15;;/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29);;/q;2*+1/p-2/t16-,17-;;/s2
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5.80n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006110
PNG
((ZGPLA) 2-[2-(2-Benzyloxycarbonylamino-acetylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H34N3O9P/c1-14(2)10-17(20(27)24-18(21(28)29)11-15(3)4)23-19(26)12-25(35(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070937
PNG
(CHEMBL3409510)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/p-2/t17-,18-/s2
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10n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50121452
PNG
((S)-2-{(S)-2-[(Benzyloxycarbonylamino-methyl)-hydr...)
Show SMILES CC(C)C[C@H](CP(O)([O-])=CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1S/C22H34N2O7P/c1-15(2)10-18(20(25)24-19(21(26)27)11-16(3)4)13-32(29,30)14-23-22(28)31-12-17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H4-,23,24,25,26,27,28,29,30)/q-1/p-1/t18-,19+/m1/s1
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11n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed


Bioorg Med Chem Lett 12: 3625-7 (2002)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321113
PNG
(3-Phenyl-2-(trifluoromethyl)quinazolin-4(3H)-one |...)
Show SMILES FC(F)(F)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H
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11.5n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070922
PNG
(CHEMBL3409525)
Show SMILES [Li+].[Li+].CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C21H34N3O7P.2Li/c1-5-15(4)18(20(26)27)23-19(25)17(11-14(2)3)24-32(29,30)13-22-21(28)31-12-16-9-7-6-8-10-16;;/h6-10,14-15,17-18H,5,11-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t15?,17-,18-;;/s2
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12n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396788
PNG
(CHEMBL2172738)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C([O-])=O
Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/p-2/t13-,15-/m0/s1
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19n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396788
PNG
(CHEMBL2172738)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C([O-])=O
Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/p-2/t13-,15-/m0/s1
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19.1n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070917
PNG
(CHEMBL3409528)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C([O-])=O
Show InChI InChI=1/C22H30N3O7PS.2Li/c1-15(2)11-18(20(26)24-19(21(27)28)12-17-9-6-10-34-17)25-33(30,31)14-23-22(29)32-13-16-7-4-3-5-8-16;;/h3-10,15,18-19H,11-14H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31);;/q;2*+1/p-2/t18-,19-;;/s2
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24n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070931
PNG
(CHEMBL3409516)
Show SMILES [Li+].CCC(C)CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t16?,18-/s2
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26n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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28n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070938
PNG
(CHEMBL3409509)
Show SMILES [Li+].[Li+].CCC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1/C20H32N3O7P/c1-4-8-16(18(24)22-17(19(25)26)11-14(2)3)23-31(28,29)13-21-20(27)30-12-15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/p-2/t16-,17-/s2
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29n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442257
PNG
(CHEMBL2028192)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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30n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070923
PNG
(CHEMBL3409524)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C([O-])=O)C(C)(C)C
Show InChI InChI=1/C21H34N3O7P.2Li/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15;;/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t16-,17+;;/s2
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31n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442257
PNG
(CHEMBL2028192)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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32n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070933
PNG
(CHEMBL3409514)
Show SMILES [Li+].CC(C)CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/s2
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37n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070920
PNG
(CHEMBL3409526)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C([O-])=O
Show InChI InChI=1/C22H36N3O7P.2Li/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16;;/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31);;/q;2*+1/p-2/t17-,18-;;/s2
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40n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50121454
PNG
((S)-2-[(Aminomethyl-diphenyl-silanyl)-methyl]-4-me...)
Show SMILES CC(C)C[C@@H](CO)C[Si](CN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H29NOSi/c1-17(2)13-18(14-22)15-23(16-21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16,21H2,1-2H3/t18-/m0/s1
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41n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed


Bioorg Med Chem Lett 12: 3625-7 (2002)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50121453
PNG
(CHEMBL334233 | Sodium; (S)-2-[(S)-2-({dihydroxy-[(...)
Show SMILES CC(C)C[C@H](C[Si](O)(O)CNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1S/C23H38N2O6Si/c1-16(2)12-19(22(27)25-20(23(28)29)13-17(3)4)14-32(30,31)15-24-21(26)11-10-18-8-6-5-7-9-18/h5-9,16-17,19-20,30-31H,10-15H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/p-1/t19-,20+/m1/s1
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41n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed


Bioorg Med Chem Lett 12: 3625-7 (2002)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070930
PNG
(CHEMBL3409517)
Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)(C)C
Show InChI InChI=1/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/p-1/t18-/s2
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43n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006117
PNG
((CLT) 2-{1-[1-Carboxy-2-(1H-indol-3-yl)-ethylcarba...)
Show SMILES CC(C)C[C@H](NC(CCCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H35N3O5/c1-18(2)15-24(30-23(27(33)34)14-8-11-19-9-4-3-5-10-19)26(32)31-25(28(35)36)16-20-17-29-22-13-7-6-12-21(20)22/h3-7,9-10,12-13,17-18,23-25,29-30H,8,11,14-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)/t23?,24-,25-/m0/s1
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50n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50422014
PNG
(CHEMBL319299)
Show SMILES CC(C)C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22?,23-,24-/m0/s1
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50n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070918
PNG
(CHEMBL3559407)
Show SMILES CC(C)C[C@H](NP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C24H32N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/s2
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54n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070934
PNG
(CHEMBL3409513)
Show SMILES [Li+].CCCCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C20H34N3O5P/c1-4-5-9-12-21-19(24)18(13-16(2)3)23-29(26,27)15-22-20(25)28-14-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4-5,9,12-15H2,1-3H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t18-/s2
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59n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070936
PNG
(CHEMBL3409511)
Show SMILES [Li+].CCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/p-1/t16-/s2
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60n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070935
PNG
(CHEMBL3409512)
Show SMILES [Li+].CCCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C19H32N3O5P/c1-4-5-11-20-18(23)17(12-15(2)3)22-28(25,26)14-21-19(24)27-13-16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/s2
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67n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070941
PNG
(CHEMBL3409506)
Show SMILES [Li+].CC(C)CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t18-/s2
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69n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070932
PNG
(CHEMBL3409515)
Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(C)(C)C
Show InChI InChI=1/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t17-/s2
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100n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070928
PNG
(CHEMBL3409519)
Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1cccs1
Show InChI InChI=1/C21H30N3O5PS/c1-16(2)13-19(20(25)22-11-10-18-9-6-12-31-18)24-30(27,28)15-23-21(26)29-14-17-7-4-3-5-8-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26)(H2,24,27,28)/p-1/t19-/s2
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189n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070943
PNG
(CHEMBL3409505)
Show SMILES [Li+].CCC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)C
Show InChI InChI=1/C19H32N3O5P/c1-4-8-17(18(23)20-12-11-15(2)3)22-28(25,26)14-21-19(24)27-13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/s2
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219n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321123
PNG
(3-(Isopropylideneamino)-2,2-dimethyl-2,3-dihydroqu...)
Show SMILES CC(C)=NN1C(=O)c2ccccc2NC1(C)C
Show InChI InChI=1S/C13H17N3O/c1-9(2)15-16-12(17)10-7-5-6-8-11(10)14-13(16,3)4/h5-8,14H,1-4H3
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243n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442256
PNG
(CHEMBL2442111)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23+/m0/s1
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280n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396786
PNG
(CHEMBL2172740)
Show SMILES CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/p-1/t15-/m0/s1
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289n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396786
PNG
(CHEMBL2172740)
Show SMILES CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/p-1/t15-/m0/s1
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291n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070929
PNG
(CHEMBL3409518)
Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/p-1/t21-/s2
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296n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006114
PNG
((HONH-BAGN) N-(1-{[(4-Nitro-phenylcarbamoyl)-methy...)
Show SMILES C[C@H](NC(=O)CC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O6/c1-14(23-19(27)12-18(26)11-15-5-3-2-4-6-15)21(29)22-13-20(28)24-16-7-9-17(10-8-16)25(30)31/h2-10,14H,11-13H2,1H3,(H,22,29)(H,23,27)(H,24,28)/t14-/m0/s1
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430n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396787
PNG
(CHEMBL2172737)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/p-2/t14-/m0/s1
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472n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396787
PNG
(CHEMBL2172737)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/p-2/t14-/m0/s1
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476n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070939
PNG
(CHEMBL3409508)
Show SMILES [Li+].[Li+].CC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O
Show InChI InChI=1/C19H30N3O7P/c1-4-15(17(23)21-16(18(24)25)10-13(2)3)22-30(27,28)12-20-19(26)29-11-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/p-2/t15-,16-/s2
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596n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006113
PNG
((BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-eth...)
Show SMILES C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12?/m0/s1
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750n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396789
PNG
(CHEMBL2172739)
Show SMILES CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H26N3O5P/c1-12(2)9-14(15(20)17-3)19-25(22,23)11-18-16(21)24-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,20)(H,18,21)(H2,19,22,23)/p-1/t14-/m0/s1
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902n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396789
PNG
(CHEMBL2172739)
Show SMILES CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H26N3O5P/c1-12(2)9-14(15(20)17-3)19-25(22,23)11-18-16(21)24-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,20)(H,18,21)(H2,19,22,23)/p-1/t14-/m0/s1
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908n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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1.25E+3n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Citation and Details
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50070910
PNG
(CHEMBL3409534)
Show SMILES [Li+].[Li+].CC[C@H](NC(=O)[C@H](C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1/C16H24N3O7P.2Li/c1-3-13(15(21)22)18-14(20)11(2)19-27(24,25)10-17-16(23)26-9-12-7-5-4-6-8-12;;/h4-8,11,13H,3,9-10H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H2,19,24,25);;/q;2*+1/p-2/t11-,13-;;/s2
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1.37E+3n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Citation and Details
More data for this
Ligand-Target Pair
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
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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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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1.80E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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