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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with Target = 'Choline acetylase' AND taxid = 9606   
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
Choline acetylase


(Homo sapiens)
BDBM50079267
PNG
(Congo Red | Direct red 28 | Kongorot | Sodium diph...)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029028
PNG
((cibacron blue,para isomer)1-Amino-4-{4-[4-chloro-...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-5-8-15(9-6-13)49(40,41)42)37-29(36-27)34-18-10-7-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029036
PNG
(1-Amino-4-{4-[4-hydroxy-6-(4-sulfo-phenylamino)-[1...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(=O)[nH]3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H21N7O12S3/c30-24-21(51(46,47)48)12-19(22-23(24)26(38)17-4-2-1-3-16(17)25(22)37)31-14-7-10-18(20(11-14)50(43,44)45)33-28-34-27(35-29(39)36-28)32-13-5-8-15(9-6-13)49(40,41)42/h1-12,31H,30H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,32,33,34,35,36,39)/p-3
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029032
PNG
(Methyldisulfanyl analogue of coenzyme A)
Show SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP(O)([O-])=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H38N7O16P3S2/c1-22(2,17(32)20(33)25-5-4-13(30)24-6-7-50-49-3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/p-3
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2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029026
PNG
(4,4'-Bis-phenylamino-[1,1']binaphthalenyl-5,5'-dis...)
Show SMILES [O-]S(=O)(=O)c1cccc2c(ccc(Nc3ccccc3)c12)-c1ccc(Nc2ccccc2)c2c(cccc12)S([O-])(=O)=O
Show InChI InChI=1S/C32H24N2O6S2/c35-41(36,37)29-15-7-13-25-23(17-19-27(31(25)29)33-21-9-3-1-4-10-21)24-18-20-28(34-22-11-5-2-6-12-22)32-26(24)14-8-16-30(32)42(38,39)40/h1-20,33-34H,(H,35,36,37)(H,38,39,40)/p-2
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029029
PNG
((tetraidofluorescein)2-(6-Hydroxy-2,4,5,7-tetraiod...)
Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12
Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50367033
PNG
(COENZYME_A)
Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
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7.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

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


(Homo sapiens)
BDBM50029033
PNG
(7-Phenylamino-naphthalene-1-sulfonic acid anion)
Show SMILES [O-]S(=O)(=O)c1cccc2ccc(Nc3ccccc3)cc12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-8-4-5-12-9-10-14(11-15(12)16)17-13-6-2-1-3-7-13/h1-11,17H,(H,18,19,20)/p-1
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1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029039
PNG
(6-Phenylamino-naphthalene-2-sulfonic acid anion)
Show SMILES [O-]S(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-11,17H,(H,18,19,20)/p-1
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8.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029027
PNG
(5-Phenylamino-naphthalene-1-sulfonic acid anion)
Show SMILES [O-]S(=O)(=O)c1cccc2c(Nc3ccccc3)cccc12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-11-5-8-13-14(16)9-4-10-15(13)17-12-6-2-1-3-7-12/h1-11,17H,(H,18,19,20)/p-1
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1.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50029034
PNG
(1-naphthalenesulfonate | alpha-naphthalenesulfonat...)
Show SMILES [O-]S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)/p-1
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1.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50280248
PNG
(1-Methyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridiniu...)
Show SMILES C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+
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n/an/a 300n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407203
PNG
(CHEMBL323262)
Show SMILES Cc1c[n+](C)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C19H18N/c1-15-14-20(2)13-12-16(15)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-14H,1-2H3/q+1/b11-10+
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n/an/a 400n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50280248
PNG
(1-Methyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridiniu...)
Show SMILES C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+
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n/an/a 400n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405657
PNG
(CHEMBL262139)
Show SMILES C[n+]1ccc(cc1)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C18H14N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,11-14H,1H3/q+1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407207
PNG
(CHEMBL419730)
Show SMILES C[n+]1ccc(\C=N\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N2/c1-19-11-9-14(10-12-19)13-18-17-8-4-6-15-5-2-3-7-16(15)17/h2-13H,1H3/q+1/b18-13+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405680
PNG
(CHEMBL354870)
Show SMILES C[n+]1ccccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C18H16N/c1-19-14-5-4-10-17(19)13-12-16-9-6-8-15-7-2-3-11-18(15)16/h2-14H,1H3/q+1/b13-12+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407200
PNG
(CHEMBL107333)
Show SMILES C[n+]1ccc(\C=C\c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H13ClN/c1-16-9-7-12(8-10-16)5-6-13-3-2-4-14(15)11-13/h2-11H,1H3/q+1/b6-5+
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405573
PNG
(CHEMBL19486)
Show SMILES OCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18NO/c21-15-14-20-12-10-16(11-13-20)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-13,21H,14-15H2/q+1/b9-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407210
PNG
(CHEMBL316739)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H16N/c1-19-14-13-16(17-9-5-6-10-18(17)19)12-11-15-7-3-2-4-8-15/h2-14H,1H3/q+1/b12-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405665
PNG
(CHEMBL354158)
Show SMILES CC(=O)[NH+]=c1cc(C=Cc2cccc3ccccc23)ccn1C
Show InChI InChI=1S/C20H18N2O/c1-15(23)21-20-14-16(12-13-22(20)2)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-14H,1-2H3/p+1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405671
PNG
(CHEMBL168155)
Show SMILES CCCCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C23H26N/c1-2-3-4-7-17-24-18-15-20(16-19-24)13-14-22-11-8-10-21-9-5-6-12-23(21)22/h5-6,8-16,18-19H,2-4,7,17H2,1H3/q+1/b14-13+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405673
PNG
(CHEMBL433527)
Show SMILES CN1CCC(\C=C\c2cccc3ccccc23)=CC1
Show InChI InChI=1S/C18H19N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-11H,12-14H2,1H3/b10-9+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405668
PNG
(CHEMBL170902)
Show SMILES C[n+]1ccc(\C=C\c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C14H12Cl2N/c1-17-8-6-11(7-9-17)2-3-12-4-5-13(15)14(16)10-12/h2-10H,1H3/q+1/b3-2+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407201
PNG
(CHEMBL106787)
Show SMILES Cc1c[n+](C)ccc1\C=C\c1ccccc1
Show InChI InChI=1S/C15H16N/c1-13-12-16(2)11-10-15(13)9-8-14-6-4-3-5-7-14/h3-12H,1-2H3/q+1/b9-8+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405664
PNG
(CHEMBL353720)
Show SMILES Cn1ccc(\C=C\c2cccc3ccccc23)cc1=[NH2+]
Show InChI InChI=1S/C18H16N2/c1-20-12-11-14(13-18(20)19)9-10-16-7-4-6-15-5-2-3-8-17(15)16/h2-13,19H,1H3/p+1/b10-9+,19-18?
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n/an/a 5.30E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405681
PNG
(CHEMBL106928 | CHEMBL441492)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q+1/b8-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405681
PNG
(CHEMBL106928 | CHEMBL441492)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q+1/b8-7+
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407206
PNG
(CHEMBL107632)
Show SMILES CCc1c[n+](C)ccc1\C=C\c1ccccc1
Show InChI InChI=1S/C16H18N/c1-3-15-13-17(2)12-11-16(15)10-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/q+1/b10-9+
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407202
PNG
(CHEMBL321318)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2Cl)cc1
Show InChI InChI=1S/C14H13ClN/c1-16-10-8-12(9-11-16)6-7-13-4-2-3-5-14(13)15/h2-11H,1H3/q+1/b7-6+
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405661
PNG
(CHEMBL165809)
Show SMILES COc1ccc(\C=C\c2cc[n+](CCO)cc2)c2ccccc12
Show InChI InChI=1S/C20H20NO2/c1-23-20-9-8-17(18-4-2-3-5-19(18)20)7-6-16-10-12-21(13-11-16)14-15-22/h2-13,22H,14-15H2,1H3/q+1/b7-6+
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n/an/a 9.00E+4n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407205
PNG
(CHEMBL323020)
Show SMILES C[n+]1ccc(cc1)\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C17H15N2/c1-19-11-9-16(10-12-19)18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-13H,1H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405670
PNG
(CHEMBL104278 | CHEMBL166410)
Show SMILES C[n+]1ccc(\C=C\c2cc3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C22H18N/c1-23-14-12-17(13-15-23)10-11-19-16-18-6-2-3-7-20(18)22-9-5-4-8-21(19)22/h2-16H,1H3/q+1/b11-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407204
PNG
(CHEMBL320284)
Show SMILES C\C(=C/c1ccccc1)c1cc[n+](C)cc1
Show InChI InChI=1S/C15H16N/c1-13(12-14-6-4-3-5-7-14)15-8-10-16(2)11-9-15/h3-12H,1-2H3/q+1/b13-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405666
PNG
(CHEMBL106996 | CHEMBL166693)
Show SMILES COc1ccc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H18NO/c1-20-13-11-15(12-14-20)7-8-16-9-10-19(21-2)18-6-4-3-5-17(16)18/h3-14H,1-2H3/q+1/b8-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405678
PNG
(CHEMBL166752)
Show SMILES COc1ccc(\C=C\c2cccc[n+]2C)c2ccccc12
Show InChI InChI=1S/C19H18NO/c1-20-14-6-5-7-16(20)12-10-15-11-13-19(21-2)18-9-4-3-8-17(15)18/h3-14H,1-2H3/q+1/b12-10+
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n/an/a 1.18E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405663
PNG
(CHEMBL354866)
Show SMILES COc1ccc2ccccc2c1\C=C\c1cc[n+](C)cc1
Show InChI InChI=1S/C19H18NO/c1-20-13-11-15(12-14-20)7-9-18-17-6-4-3-5-16(17)8-10-19(18)21-2/h3-14H,1-2H3/q+1/b9-7+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405669
PNG
(CHEMBL168468)
Show SMILES COc1ccc(\C=C\c2cc[n+](C)cc2)cc1OC
Show InChI InChI=1S/C16H18NO2/c1-17-10-8-13(9-11-17)4-5-14-6-7-15(18-2)16(12-14)19-3/h4-12H,1-3H3/q+1/b5-4+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405659
PNG
(CHEMBL353761)
Show SMILES C[n+]1ccc(CCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H18N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,11-14H,9-10H2,1H3/q+1
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n/an/a 1.68E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405666
PNG
(CHEMBL106996 | CHEMBL166693)
Show SMILES COc1ccc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H18NO/c1-20-13-11-15(12-14-20)7-8-16-9-10-19(21-2)18-6-4-3-5-17(16)18/h3-14H,1-2H3/q+1/b8-7+
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n/an/a 3.60E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405662
PNG
(CHEMBL166791)
Show SMILES C[n+]1cccc(NC(=O)Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C17H15N3O/c1-20-11-5-8-14(12-20)18-17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-12H,1H3,(H-,18,19,21)/p+1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405676
PNG
(CHEMBL354506)
Show SMILES Cn1ccc(cc1)=[NH+]C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H15N3O/c1-20-11-9-14(10-12-20)18-17(21)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3,(H,19,21)/p+1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405660
PNG
(CHEMBL354726)
Show SMILES C[n+]1ccc(\C=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C22H18N/c1-23-14-12-17(13-15-23)10-11-22-20-8-4-2-6-18(20)16-19-7-3-5-9-21(19)22/h2-16H,1H3/q+1/b11-10+
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n/an/a 8.00E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405677
PNG
(CHEMBL167408)
Show SMILES C[N+]1(C)CCC(\C=C\c2cccc3ccccc23)=CC1
Show InChI InChI=1S/C19H22N/c1-20(2)14-12-16(13-15-20)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-12H,13-15H2,1-2H3/q+1/b11-10+
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n/an/a>1.00E+6n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405672
PNG
(CHEMBL166811)
Show SMILES CCCCCCN1CCC(\C=C\c2cccc3ccccc23)=CC1
Show InChI InChI=1S/C23H29N/c1-2-3-4-7-17-24-18-15-20(16-19-24)13-14-22-11-8-10-21-9-5-6-12-23(21)22/h5-6,8-15H,2-4,7,16-19H2,1H3/b14-13+
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n/an/a 1.00E+6n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405674
PNG
(CHEMBL553877)
Show SMILES [O-][n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H13NO/c19-18-12-10-14(11-13-18)8-9-16-6-3-5-15-4-1-2-7-17(15)16/h1-13H/b9-8+
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n/an/a 1.39E+6n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405656
PNG
(CHEMBL167979)
Show SMILES OCCN1CCC(CCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C19H25NO/c21-15-14-20-12-10-16(11-13-20)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,16,21H,8-15H2
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n/an/a 1.40E+6n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
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