Compile Data Set for Download or QSAR

Found 25 hits of ki for UniProtKB: P32738   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Choline O-acetyltransferase (RAT)	BDBM8961 (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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition constant determined against Acetylcholinesterase (AChE) receptor.				J Med Chem 41: 4186-9 (1998) Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50133817 (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 MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pudue Pharma Discovery Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 306: 377-86 (2003) Article DOI: 10.1124/jpet.102.045674 BindingDB Entry DOI: 10.7270/Q2TX3CX5
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026220 (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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Choline O-acetyltransferase (RAT)	BDBM50026470 ((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	PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026480 (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	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026468 (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 MCE KEGG PC cid PC sid UniChem	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50031187 (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	PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound towards Acetylcholinesterase				J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026469 (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 MCE MMDB PC cid PC sid UniChem Patents	PubMed	3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026475 (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	PubMed	6.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026475 (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	PubMed	6.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026468 (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 MCE KEGG PC cid PC sid UniChem	PubMed	7.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026220 (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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	7.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Choline O-acetyltransferase (RAT)	BDBM50026477 (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 MCE PC cid PC sid UniChem Patents	PubMed	8.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026470 ((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	PubMed	1.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026478 (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	PubMed	1.40E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50048111 ((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	PubMed	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026474 (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 MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026474 (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 MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026472 ((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 MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50048110 (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	PubMed	2.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2RX9B5J
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026473 (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 MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.80E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026479 (2-Methylsulfanyl-ethanol | CHEMBL277871) Show SMILES CSCCO Show InChI InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM36173 (1-butanol | 1-butanol-d10 | CHEMBL14245) Show SMILES CCCCO 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	PubMed	4.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026477 (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 MCE PC cid PC sid UniChem Patents	PubMed	1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50026473 (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 MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.60E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair