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Compile Data Set for Download or QSAR

Found 2454 hits with Last Name = 'lucas' and Initial = 's'   
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
Carbonic anhydrase 2


(Bos taurus)
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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137n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058822
PNG
(CHEMBL3325725)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H51NO5S/c1-26(2)15-17-31(25(33)36-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(37-38(32,34)35)27(3,4)22(28)11-14-30(23,29)7/h9,21-24H,10-19H2,1-8H3,(H2,32,34,35)/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
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308n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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540n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellm...


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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540n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058823
PNG
(CHEMBL3325726)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CC[C@H](OS(N)(=O)=O)C2(C)C |r,t:9|
Show InChI InChI=1S/C31H51NO5S/c1-19-11-16-31(26(33)36-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(37-38(32,34)35)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25H,10-18H2,1-8H3,(H2,32,34,35)/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058829
PNG
(CHEMBL3325867)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H51NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(33)24(38-39(32,35)36)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,33H,10-18H2,1-8H3,(H2,32,35,36)/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058830
PNG
(CHEMBL3325868)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H49NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)18-26)17-21(33)24-28(5)11-10-23(38-39(32,35)36)27(3,4)22(28)9-12-30(24,29)7/h17,20,22-24H,9-16,18H2,1-8H3,(H2,32,35,36)/t20-,22-,23-,24+,28-,29+,30+,31-/m0/s1
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1.49E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058825
PNG
(CHEMBL3325728)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H49NO6S/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)38-39(32,35)36)21(33)17-19-20-18-28(4,25(34)37-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24H,9-16,18H2,1-8H3,(H2,32,35,36)/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50151916
PNG
(CHEMBL3086609)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCCl |r,t:15|
Show InChI InChI=1S/C34H55ClO4/c1-29(2)14-16-34(28(38)39-19-9-8-18-35)17-15-32(6)22(23(34)20-29)10-11-26-31(5)21-24(36)27(37)30(3,4)25(31)12-13-33(26,32)7/h10,23-27,36-37H,8-9,11-21H2,1-7H3/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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1.68E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058827
PNG
(CHEMBL3325865)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=O |r|
Show InChI InChI=1S/C30H49NO6S/c1-18(32)19-10-15-30(25(33)36-7)17-16-28(5)20(24(19)30)8-9-22-27(4)13-12-23(37-38(31,34)35)26(2,3)21(27)11-14-29(22,28)6/h19-24H,8-17H2,1-7H3,(H2,31,34,35)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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1.74E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50019357
PNG
(CHEMBL3289710)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
Show InChI InChI=1S/C46H67NO7/c1-12-52-38(50)43(8)23-22-42(7)24-25-45(10)30(31(42)28-43)27-33(48)36-44(9)20-19-35(41(5,6)34(44)18-21-46(36,45)11)53-37(49)32(26-29-16-14-13-15-17-29)47-39(51)54-40(2,3)4/h13-17,27,31-32,34-36H,12,18-26,28H2,1-11H3,(H,47,51)/t31-,32-,34-,35-,36+,42+,43-,44-,45+,46+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellm...


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50019357
PNG
(CHEMBL3289710)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
Show InChI InChI=1S/C46H67NO7/c1-12-52-38(50)43(8)23-22-42(7)24-25-45(10)30(31(42)28-43)27-33(48)36-44(9)20-19-35(41(5,6)34(44)18-21-46(36,45)11)53-37(49)32(26-29-16-14-13-15-17-29)47-39(51)54-40(2,3)4/h13-17,27,31-32,34-36H,12,18-26,28H2,1-11H3,(H,47,51)/t31-,32-,34-,35-,36+,42+,43-,44-,45+,46+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155916
PNG
(CHEMBL3781995)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccc(Cl)cc1Cl |r,t:15|
Show InChI InChI=1S/C37H52Cl2O4/c1-32(2)14-16-37(31(42)43-21-22-8-9-23(38)18-26(22)39)17-15-35(6)24(25(37)19-32)10-11-29-34(5)20-27(40)30(41)33(3,4)28(34)12-13-36(29,35)7/h8-10,18,25,27-30,40-41H,11-17,19-21H2,1-7H3/t25-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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2.03E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058824
PNG
(CHEMBL3325727)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C |r|
Show InChI InChI=1S/C31H51NO5S/c1-19(2)20-11-16-31(26(33)36-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(37-38(32,34)35)27(3,4)22(28)12-15-30(23,29)7/h20-25H,1,9-18H2,2-8H3,(H2,32,34,35)/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
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2.16E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50151920
PNG
(CHEMBL3086607)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCC=C |r,t:15|
Show InChI InChI=1S/C34H54O4/c1-9-10-19-38-28(37)34-17-15-29(2,3)20-23(34)22-11-12-26-31(6)21-24(35)27(36)30(4,5)25(31)13-14-33(26,8)32(22,7)16-18-34/h9,11,23-27,35-36H,1,10,12-21H2,2-8H3/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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3.31E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155895
PNG
(CHEMBL3086597)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
Show InChI InChI=1S/C32H52O4/c1-9-36-26(35)32-16-14-27(2,3)18-21(32)20-10-11-24-29(6)19-22(33)25(34)28(4,5)23(29)12-13-31(24,8)30(20,7)15-17-32/h10,21-25,33-34H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
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3.49E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES [H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CC(O)C(O)C(C)(C)C3([H])CCC12C)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:15|
Show InChI InChI=1S/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058826
PNG
(CHEMBL3325864)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H51NO5S/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)37-38(32,34)35)10-9-20-21-19-28(4,25(33)36-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24H,10-19H2,1-8H3,(H2,32,34,35)/t21-,22-,23+,24-,27+,28-,29-,30+,31+/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155578
PNG
(CHEMBL3086612)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCCC |r,t:15|
Show InChI InChI=1S/C36H60O4/c1-9-10-11-12-21-40-30(39)36-19-17-31(2,3)22-25(36)24-13-14-28-33(6)23-26(37)29(38)32(4,5)27(33)15-16-35(28,8)34(24,7)18-20-36/h13,25-29,37-38H,9-12,14-23H2,1-8H3/t25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
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4.78E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058819
PNG
(CHEMBL3325723)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=O |r|
Show InChI InChI=1S/C30H48O4/c1-18(31)19-10-15-30(25(33)34-7)17-16-28(5)20(24(19)30)8-9-22-27(4)13-12-23(32)26(2,3)21(27)11-14-29(22,28)6/h19-24,32H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50019342
PNG
(CHEMBL3289726)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCN |r,t:15|
Show InChI InChI=1S/C33H54N2O3/c1-28(2)24-9-12-33(7)26(31(24,5)11-10-25(28)37)23(36)19-21-22-20-30(4,27(38)35-18-8-17-34)14-13-29(22,3)15-16-32(21,33)6/h19,22,24-26,37H,8-18,20,34H2,1-7H3,(H,35,38)/t22-,24-,25-,26+,29+,30-,31-,32+,33+/m0/s1
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5.43E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50151914
PNG
(CHEMBL3086611)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCC#CCl |r,t:15|
Show InChI InChI=1S/C34H51ClO4/c1-29(2)14-16-34(28(38)39-19-9-8-18-35)17-15-32(6)22(23(34)20-29)10-11-26-31(5)21-24(36)27(37)30(3,4)25(31)12-13-33(26,32)7/h10,23-27,36-37H,9,11-17,19-21H2,1-7H3/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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5.71E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155913
PNG
(CHEMBL3086603)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCl |r,t:15|
Show InChI InChI=1S/C33H53ClO4/c1-28(2)13-15-33(27(37)38-18-8-17-34)16-14-31(6)21(22(33)19-28)9-10-25-30(5)20-23(35)26(36)29(3,4)24(30)11-12-32(25,31)7/h9,22-26,35-36H,8,10-20H2,1-7H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155899
PNG
(CHEMBL3780430)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccccc1 |r,t:15|
Show InChI InChI=1S/C41H57Cl2NO5/c1-36(2)17-19-41(35(47)44-25-26-11-9-8-10-12-26)20-18-39(6)27(28(41)21-36)13-14-31-38(5)22-29(48-32(45)23-42)34(49-33(46)24-43)37(3,4)30(38)15-16-40(31,39)7/h8-13,28-31,34H,14-25H2,1-7H3,(H,44,47)/t28-,29-,30-,31+,34-,38-,39+,40+,41-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155900
PNG
(CHEMBL3781417)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCC |r,t:15|
Show InChI InChI=1S/C37H59NO5/c1-11-20-38-31(41)37-18-16-32(4,5)21-26(37)25-12-13-29-34(8)22-27(42-23(2)39)30(43-24(3)40)33(6,7)28(34)14-15-36(29,10)35(25,9)17-19-37/h12,26-30H,11,13-22H2,1-10H3,(H,38,41)/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155896
PNG
(CHEMBL3781136)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C34H50Cl2O6/c1-29(2)12-14-34(28(39)40)15-13-32(6)20(21(34)16-29)8-9-24-31(5)17-22(41-25(37)18-35)27(42-26(38)19-36)30(3,4)23(31)10-11-33(24,32)7/h8,21-24,27H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,27-,31-,32+,33+,34-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155578
PNG
(CHEMBL3086612)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCCC |r,t:15|
Show InChI InChI=1S/C36H60O4/c1-9-10-11-12-21-40-30(39)36-19-17-31(2,3)22-25(36)24-13-14-28-33(6)23-26(37)29(38)32(4,5)27(33)15-16-35(28,8)34(24,7)18-20-36/h13,25-29,37-38H,9-12,14-23H2,1-8H3/t25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50151914
PNG
(CHEMBL3086611)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCC#CCl |r,t:15|
Show InChI InChI=1S/C34H51ClO4/c1-29(2)14-16-34(28(38)39-19-9-8-18-35)17-15-32(6)22(23(34)20-29)10-11-26-31(5)21-24(36)27(37)30(3,4)25(31)12-13-33(26,32)7/h10,23-27,36-37H,9,11-17,19-21H2,1-7H3/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155907
PNG
(CHEMBL3086599)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCC |r,t:15|
Show InChI InChI=1S/C33H54O4/c1-9-18-37-27(36)33-16-14-28(2,3)19-22(33)21-10-11-25-30(6)20-23(34)26(35)29(4,5)24(30)12-13-32(25,8)31(21,7)15-17-33/h10,22-26,34-35H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155916
PNG
(CHEMBL3781995)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccc(Cl)cc1Cl |r,t:15|
Show InChI InChI=1S/C37H52Cl2O4/c1-32(2)14-16-37(31(42)43-21-22-8-9-23(38)18-26(22)39)17-15-35(6)24(25(37)19-32)10-11-29-34(5)20-27(40)30(41)33(3,4)28(34)12-13-36(29,35)7/h8-10,18,25,27-30,40-41H,11-17,19-21H2,1-7H3/t25-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155900
PNG
(CHEMBL3781417)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCC |r,t:15|
Show InChI InChI=1S/C37H59NO5/c1-11-20-38-31(41)37-18-16-32(4,5)21-26(37)25-12-13-29-34(8)22-27(42-23(2)39)30(43-24(3)40)33(6,7)28(34)14-15-36(29,10)35(25,9)17-19-37/h12,26-30H,11,13-22H2,1-10H3,(H,38,41)/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50151922
PNG
(CHEMBL3086605)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCI |r,t:15|
Show InChI InChI=1S/C33H53IO4/c1-28(2)13-15-33(27(37)38-18-8-17-34)16-14-31(6)21(22(33)19-28)9-10-25-30(5)20-23(35)26(36)29(3,4)24(30)11-12-32(25,31)7/h9,22-26,35-36H,8,10-20H2,1-7H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
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6.01E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES [H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CC(O)C(O)C(C)(C)C3([H])CCC12C)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:15|
Show InChI InChI=1S/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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6.14E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155899
PNG
(CHEMBL3780430)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccccc1 |r,t:15|
Show InChI InChI=1S/C41H57Cl2NO5/c1-36(2)17-19-41(35(47)44-25-26-11-9-8-10-12-26)20-18-39(6)27(28(41)21-36)13-14-31-38(5)22-29(48-32(45)23-42)34(49-33(46)24-43)37(3,4)30(38)15-16-40(31,39)7/h8-13,28-31,34H,14-25H2,1-7H3,(H,44,47)/t28-,29-,30-,31+,34-,38-,39+,40+,41-/m0/s1
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6.25E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155919
PNG
(CHEMBL3779955)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccc(OC)cc1 |r,t:15|
Show InChI InChI=1S/C38H56O5/c1-33(2)17-19-38(32(41)43-23-24-9-11-25(42-8)12-10-24)20-18-36(6)26(27(38)21-33)13-14-30-35(5)22-28(39)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,27-31,39-40H,14-23H2,1-8H3/t27-,28+,29-,30+,31-,35-,36+,37+,38-/m0/s1
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6.49E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50151918
PNG
(CHEMBL3086608)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCC#C |r,t:15|
Show InChI InChI=1S/C34H52O4/c1-9-10-19-38-28(37)34-17-15-29(2,3)20-23(34)22-11-12-26-31(6)21-24(35)27(36)30(4,5)25(31)13-14-33(26,8)32(22,7)16-18-34/h1,11,23-27,35-36H,10,12-21H2,2-8H3/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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6.76E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155896
PNG
(CHEMBL3781136)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C34H50Cl2O6/c1-29(2)12-14-34(28(39)40)15-13-32(6)20(21(34)16-29)8-9-24-31(5)17-22(41-25(37)18-35)27(42-26(38)19-36)30(3,4)23(31)10-11-33(24,32)7/h8,21-24,27H,9-19H2,1-7H3,(H,39,40)/t21-,22-,23-,24+,27-,31-,32+,33+,34-/m0/s1
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6.85E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155902
PNG
(CHEMBL3780423)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC#C |r,t:15|
Show InChI InChI=1S/C37H55NO5/c1-11-20-38-31(41)37-18-16-32(4,5)21-26(37)25-12-13-29-34(8)22-27(42-23(2)39)30(43-24(3)40)33(6,7)28(34)14-15-36(29,10)35(25,9)17-19-37/h1,12,26-30H,13-22H2,2-10H3,(H,38,41)/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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8.14E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155913
PNG
(CHEMBL3086603)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCCCl |r,t:15|
Show InChI InChI=1S/C33H53ClO4/c1-28(2)13-15-33(27(37)38-18-8-17-34)16-14-31(6)21(22(33)19-28)9-10-25-30(5)20-23(35)26(36)29(3,4)24(30)11-12-32(25,31)7/h9,22-26,35-36H,8,10-20H2,1-7H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
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8.76E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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9.37E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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9.37E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50019347
PNG
(CHEMBL3289731)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)On1nnc2ccccc12 |r,t:15|
Show InChI InChI=1S/C36H49N3O4/c1-31(2)27-12-15-36(7)29(34(27,5)14-13-28(31)41)26(40)20-22-23-21-33(4,17-16-32(23,3)18-19-35(22,36)6)30(42)43-39-25-11-9-8-10-24(25)37-38-39/h8-11,20,23,27-29,41H,12-19,21H2,1-7H3/t23-,27-,28-,29+,32+,33-,34-,35+,36+/m0/s1
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9.81E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50155915
PNG
(CHEMBL3086601)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC#C |r,t:15|
Show InChI InChI=1S/C33H50O4/c1-9-18-37-27(36)33-16-14-28(2,3)19-22(33)21-10-11-25-30(6)20-23(34)26(35)29(4,5)24(30)12-13-32(25,8)31(21,7)15-17-33/h1,10,22-26,34-35H,11-20H2,2-8H3/t22-,23+,24-,25+,26-,30-,31+,32+,33-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155905
PNG
(CHEMBL3780395)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccccc1 |r,t:15|
Show InChI InChI=1S/C37H55NO3/c1-32(2)17-19-37(31(41)38-23-24-11-9-8-10-12-24)20-18-35(6)25(26(37)21-32)13-14-29-34(5)22-27(39)30(40)33(3,4)28(34)15-16-36(29,35)7/h8-13,26-30,39-40H,14-23H2,1-7H3,(H,38,41)/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155894
PNG
(CHEMBL3781066)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccccc1 |r,t:15|
Show InChI InChI=1S/C41H59NO5/c1-26(43)46-31-24-38(7)32(37(5,6)34(31)47-27(2)44)17-18-40(9)33(38)16-15-29-30-23-36(3,4)19-21-41(30,22-20-39(29,40)8)35(45)42-25-28-13-11-10-12-14-28/h10-15,30-34H,16-25H2,1-9H3,(H,42,45)/t30-,31-,32-,33+,34-,38-,39+,40+,41-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058818
PNG
(CHEMBL3100032)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29-,30+,31+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058817
PNG
(CHEMBL1271483)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50058810
PNG
(Methyl Ursolate | Ursolic Acid Methyl Ester)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
Show InChI InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay


Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50346699
PNG
(CHEMBL508614)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1OC(C)=O |r,t:16|
Show InChI InChI=1S/C34H52O6/c1-20(35)39-24-19-31(7)25(30(5,6)27(24)40-21(2)36)12-13-33(9)26(31)11-10-22-23-18-29(3,4)14-16-34(23,28(37)38)17-15-32(22,33)8/h10,23-27H,11-19H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50346699
PNG
(CHEMBL508614)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1OC(C)=O |r,t:16|
Show InChI InChI=1S/C34H52O6/c1-20(35)39-24-19-31(7)25(30(5,6)27(24)40-21(2)36)12-13-33(9)26(31)11-10-22-23-18-29(3,4)14-16-34(23,28(37)38)17-15-32(22,33)8/h10,23-27H,11-19H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
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