BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Choline acetylase' AND taxid = 10116   
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 Acetyltransferase


(RAT)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition constant determined against Acetylcholinesterase (AChE) receptor.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026470
PNG
((2-Hydroxy-ethyl)-dimethyl-sulfonium; iodide | CHE...)
Show SMILES CS(C)(I)CCO
Show InChI InChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

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


(RAT)
BDBM50026480
PNG
(CHEMBL283149 | Trimethyl-sulfoniumoxide; iodide)
Show SMILES CS(C)(C)(I)=O
Show InChI InChI=1S/C3H9IOS/c1-6(2,3,4)5/h1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50031187
PNG
(2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(N)=O
Show InChI InChI=1S/C37H39ClN6O9S/c1-19(2)29(31(45)36-40-26-18-23(32(39)46)11-16-28(26)53-36)41-35(49)27-6-5-17-44(27)37(50)30(20(3)4)42-33(47)21-7-9-22(10-8-21)34(48)43-54(51,52)25-14-12-24(38)13-15-25/h7-16,18-20,27,29-30H,5-6,17H2,1-4H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t27-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Acetylcholinesterase


J Med Chem 38: 3972-82 (1995)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026468
PNG
(CHEMBL25340 | Trimethyl-sulfonium; iodide)
Show SMILES C[S+](C)C
Show InChI InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
AffyNet 
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026469
PNG
(2-Trimethylsilanyl-ethanol | CHEMBL25482)
Show SMILES C[Si](C)(C)CCO
Show InChI InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
3.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026475
PNG
(Acetic acid 2-methanesulfonyl-ethyl ester | CHEMBL...)
Show SMILES CC(=O)OCCS(C)(=O)=O
Show InChI InChI=1S/C5H10O4S/c1-5(6)9-3-4-10(2,7)8/h3-4H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
6.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026475
PNG
(Acetic acid 2-methanesulfonyl-ethyl ester | CHEMBL...)
Show SMILES CC(=O)OCCS(C)(=O)=O
Show InChI InChI=1S/C5H10O4S/c1-5(6)9-3-4-10(2,7)8/h3-4H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
6.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026468
PNG
(CHEMBL25340 | Trimethyl-sulfonium; iodide)
Show SMILES C[S+](C)C
Show InChI InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
AffyNet 
PubMed
7.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026474
PNG
(3,3-Dimethyl-butan-1-ol | CHEMBL25029)
Show SMILES CC(C)(C)CCO
Show InChI InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
7.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
PubMed
7.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

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


(RAT)
BDBM50026477
PNG
(2-Methanesulfonyl-ethanol | CHEMBL281616)
Show SMILES CS(=O)(=O)CCO
Show InChI InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
8.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026470
PNG
((2-Hydroxy-ethyl)-dimethyl-sulfonium; iodide | CHE...)
Show SMILES CS(C)(I)CCO
Show InChI InChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.30E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026478
PNG
(5-dimethylamino-2-pentanone-N-oxide | CHEMBL25004)
Show SMILES CC(=O)CCC[N+](C)(C)[O-]
Show InChI InChI=1S/C7H15NO2/c1-7(9)5-4-6-8(2,3)10/h4-6H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
1.40E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis of acetylcholine by acetylcholinesterase and represented as KI(competitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50048111
PNG
((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)
Show SMILES C[N+](C)(C)c1cccc(O)c1O
Show InChI InChI=1S/C9H13NO2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,1-3H3,(H-,11,12)/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.50E+7n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined


J Med Chem 36: 1893-901 (1993)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026474
PNG
(3,3-Dimethyl-butan-1-ol | CHEMBL25029)
Show SMILES CC(C)(C)CCO
Show InChI InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
1.90E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026472
PNG
((CH3)2SO | (methanesulfinyl)methanedimethyl sulfox...)
Show SMILES CS(C)=O
Show InChI InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
2.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50048110
PNG
(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)
Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.50E+7n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined


J Med Chem 36: 1893-901 (1993)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026473
PNG
(CHEMBL25028 | Sulfonylbismethane | dimethyl sulfon...)
Show SMILES CS(C)(=O)=O
Show InChI InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
2.80E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026479
PNG
(2-Methylsulfanyl-ethanol | CHEMBL277871)
Show InChI InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
4.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM36173
PNG
(1-butanol | 1-butanol-d10 | CHEMBL14245)
Show InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
4.70E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026477
PNG
(2-Methanesulfonyl-ethanol | CHEMBL281616)
Show SMILES CS(=O)(=O)CCO
Show InChI InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
1.00E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50026473
PNG
(CHEMBL25028 | Sulfonylbismethane | dimethyl sulfon...)
Show SMILES CS(C)(=O)=O
Show InChI InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
2.60E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)


J Med Chem 28: 1309-13 (1985)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405557
PNG
(CHEMBL19325)
Show SMILES Cc1c[n+](CC(N)=O)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-15-13-22(14-20(21)23)12-11-16(15)9-10-18-7-4-6-17-5-2-3-8-19(17)18/h2-13H,14H2,1H3,(H-,21,23)/p+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405569
PNG
(CHEMBL18903)
Show SMILES CCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H22N/c1-2-3-15-22-16-13-18(14-17-22)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-14,16-17H,2-3,15H2,1H3/q+1/b12-11+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
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+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 390n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405551
PNG
(CHEMBL279876)
Show SMILES CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18N/c1-2-20-14-12-16(13-15-20)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-15H,2H2,1H3/q+1/b11-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 860n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405552
PNG
(CHEMBL19487)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H20NO2/c1-2-24-21(23)16-22-14-12-17(13-15-22)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3/q+1/b11-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405553
PNG
(CHEMBL283112)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)c(C)c1
Show InChI InChI=1S/C22H22NO2/c1-3-25-22(24)16-23-14-13-18(17(2)15-23)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3/q+1/b12-11+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405568
PNG
(CHEMBL278742)
Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405547
PNG
(CHEMBL18432)
Show SMILES Cc1c[n+](CCO)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H20NO/c1-16-15-21(13-14-22)12-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,15,22H,13-14H2,1H3/q+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
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+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405567
PNG
(CHEMBL274006)
Show SMILES OCC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18NO2/c22-15-19(23)14-21-12-10-16(11-13-21)8-9-18-6-3-5-17-4-1-2-7-20(17)18/h1-13,22H,14-15H2/q+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405548
PNG
(CHEMBL279153)
Show SMILES NC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c21-20(25)22-19(24)14-23-12-10-15(11-13-23)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H2-,21,22,24,25)/p+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405574
PNG
(CHEMBL428683)
Show SMILES CC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18NO/c1-16(22)15-21-13-11-17(12-14-21)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-14H,15H2,1H3/q+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405558
PNG
(CHEMBL19318)
Show SMILES NCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N2/c20-12-15-21-13-10-16(11-14-21)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-11,13-14H,12,15,20H2/q+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405561
PNG
(CHEMBL18920)
Show SMILES CCNC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C22H21N3O2/c1-2-23-22(27)24-21(26)16-25-14-12-17(13-15-25)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3,(H-,23,24,26,27)/p+1/b11-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405559
PNG
(CHEMBL19470)
Show SMILES Cc1c[n+](CCN)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H21N2/c1-16-15-22(14-12-21)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14,21H2,1H3/q+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405556
PNG
(CHEMBL18766)
Show SMILES NCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H21N2/c21-13-4-14-22-15-11-17(12-16-22)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,15-16H,4,13-14,21H2/q+1/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405555
PNG
(CHEMBL282917)
Show SMILES BrCC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17BrNO/c21-14-19(23)15-22-12-10-16(11-13-22)8-9-18-6-3-5-17-4-1-2-7-20(17)18/h1-13H,14-15H2/q+1/b9-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405549
PNG
(CHEMBL278309)
Show SMILES CCOC(=O)C(C(=O)OCC)[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H24NO4/c1-3-28-23(26)22(24(27)29-4-2)25-16-14-18(15-17-25)12-13-20-10-7-9-19-8-5-6-11-21(19)20/h5-17,22H,3-4H2,1-2H3/q+1/b13-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)

More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against rat choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>
Jump to: