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Compile Data Set for Download or QSAR

Found 75 hits of ic50 for UniProtKB: P00800   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50292712
PNG
(1beta-D-arabinofuranosyl-N4-lauroylcytosine | CHEM...)
Show SMILES CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C21H35N3O6/c1-2-3-4-5-6-7-8-9-10-11-17(26)22-16-12-13-24(21(29)23-16)20-19(28)18(27)15(14-25)30-20/h12-13,15,18-20,25,27-28H,2-11,14H2,1H3,(H,22,23,26,29)/t15-,18-,19+,20-/m1/s1
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n/an/a 0.0640n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


J Med Chem 52: 48-61 (2009)


Article DOI: 10.1021/jm8008019
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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n/an/a 2n/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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50044226
PNG
(1-hydroxy-1-phenylethyl-phosphinoylamino]-propiony...)
Show SMILES CC(NP(O)(=O)CCc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallopeptidase thermolysin


J Med Chem 36: 2051-8 (1993)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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n/an/a 9n/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)

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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n/an/a 11.5n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
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 |r|
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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n/an/a 33n/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)

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


(Bacillus thermoproteolyticus)
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against thermolysin


Bioorg Med Chem Lett 3: 1953-1958 (1993)


Article DOI: 10.1016/S0960-894X(01)80994-X
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 175n/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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321123
PNG
(3-(Isopropylideneamino)-2,2-dimethyl-2,3-dihydroqu...)
Show SMILES [#6]\[#6](-[#6])=[#7]\[#7]1-[#6](=O)-c2ccccc2-[#7]C1([#6])[#6]
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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n/an/a 248n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056249
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
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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n/an/a 1.25E+3n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056248
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](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)/t10-/m1/s1
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n/an/a 1.80E+3n/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
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056250
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
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n/an/a 1.90E+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)

More data for this
Ligand-Target Pair
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)
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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)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056247
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056247
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 4.00E+3n/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)
BDBM50204382
PNG
(2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...)
Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)
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n/an/a 9.50E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


Eur J Med Chem 108: 141-53 (2016)

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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n/an/a 9.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056261
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056258
PNG
((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056256
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056256
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138798
PNG
(CHEMBL3754100)
Show InChI InChI=1S/C9H13BrN2O5S2/c1-6(2)17-12(5-8(13)11-14)19(15,16)9-4-3-7(10)18-9/h3-4,6,14H,5H2,1-2H3,(H,11,13)
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n/an/a 2.90E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


Eur J Med Chem 108: 141-53 (2016)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138798
PNG
(CHEMBL3754100)
Show InChI InChI=1S/C9H13BrN2O5S2/c1-6(2)17-12(5-8(13)11-14)19(15,16)9-4-3-7(10)18-9/h3-4,6,14H,5H2,1-2H3,(H,11,13)
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n/an/a 2.90E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-n...


Eur J Med Chem 108: 141-53 (2016)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-n...


Eur J Med Chem 108: 141-53 (2016)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


Eur J Med Chem 108: 141-53 (2016)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056259
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....)
Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321112
PNG
(3-Amino-2-(trifluoromethyl)quinazolin-4(3H)-one | ...)
Show SMILES Nn1c(nc2ccccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(16)15(8)13/h1-4H,13H2
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n/an/a 3.79E+4n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056253
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056253
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056250
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056248
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-9-6-5-8-13(14)7-3-1-2-4-10-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321118
PNG
(3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3ccccc3C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+
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n/an/a 4.20E+4n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50274869
PNG
(CHEMBL464808 | N-(2-chloro-6-methylphenyl)-2-hydro...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11ClN2O4/c1-8-4-2-6-10(15)12(8)16-14(19)9-5-3-7-11(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


J Med Chem 52: 48-61 (2009)


Article DOI: 10.1021/jm8008019
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056262
PNG
((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056254
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)9-3-1-2-6-12-7-4-5-8-13(12)10-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056254
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)9-3-1-2-6-12-7-4-5-8-13(12)10-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321114
PNG
(3-Amino-2-methylquinazolin-4(3H)-one | CHEMBL11631...)
Show SMILES Cc1nc2ccccc2c(=O)n1N
Show InChI InChI=1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
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n/an/a 5.49E+4n/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 0.1 M substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50056255
PNG
((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit thermolysin (TLN)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
More data for this
Ligand-Target Pair
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