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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'flynn' and Initial = 'jr'   
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
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368271
PNG
(CHEMBL1204112)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCCO1
Show InChI InChI=1S/C30H42N2O6/c1-31(2,21-29-35-15-5-16-36-29)19-27(33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(34)20-32(3,4)22-30-37-17-6-18-38-30/h7-14,29-30H,5-6,15-22H2,1-4H3/q+2
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n/an/a 3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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n/an/a 50n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368269
PNG
(CHEMBL1202156)
Show SMILES C[N+](C)(CC1CCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCO1
Show InChI InChI=1S/C32H46N2O4/c1-33(2,21-29-9-5-7-19-37-29)23-31(35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)32(36)24-34(3,4)22-30-10-6-8-20-38-30/h11-18,29-30H,5-10,19-24H2,1-4H3/q+2
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368268
PNG
(CHEMBL1202155)
Show SMILES C[N+](C)(CC1OCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCO1
Show InChI InChI=1S/C28H38N2O6/c1-29(2,19-27-33-13-14-34-27)17-25(31)23-9-5-21(6-10-23)22-7-11-24(12-8-22)26(32)18-30(3,4)20-28-35-15-16-36-28/h5-12,27-28H,13-20H2,1-4H3/q+2
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368272
PNG
(CHEMBL1202157)
Show SMILES C[N+](C)(CC1CCOCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCOCO1
Show InChI InChI=1S/C30H42N2O6/c1-31(2,17-27-13-15-35-21-37-27)19-29(33)25-9-5-23(6-10-25)24-7-11-26(12-8-24)30(34)20-32(3,4)18-28-14-16-36-22-38-28/h5-12,27-28H,13-22H2,1-4H3/q+2
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50012004
PNG
((2-Biphenyl-4-yl-2-oxo-ethyl)-[1,3]dioxan-2-ylmeth...)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26NO3/c1-22(2,16-21-24-13-6-14-25-21)15-20(23)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-12,21H,6,13-16H2,1-2H3/q+1
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368270
PNG
(CHEMBL1202154)
Show SMILES C[N+](C)(CC1CCCCC1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCC1
Show InChI InChI=1S/C34H50N2O2/c1-35(2,23-27-11-7-5-8-12-27)25-33(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)34(38)26-36(3,4)24-28-13-9-6-10-14-28/h15-22,27-28H,5-14,23-26H2,1-4H3/q+2
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50011996
PNG
(CHEMBL290329 | [1,3]Dioxan-2-ylmethyl-trimethyl-am...)
Show SMILES C[N+](C)(C)CC1OCCCO1
Show InChI InChI=1S/C8H18NO2/c1-9(2,3)7-8-10-5-4-6-11-8/h8H,4-7H2,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50011998
PNG
(CHEMBL298102 | [1,3]Dioxan-2-ylmethyl-dimethyl-(2-...)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccccc1
Show InChI InChI=1S/C15H22NO3/c1-16(2,12-15-18-9-6-10-19-15)11-14(17)13-7-4-3-5-8-13/h3-5,7-8,15H,6,9-12H2,1-2H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair