Compile Data Set for Download or QSAR

Found 8 hits of ic50 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)	BDBM8960 ((+/-)-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 MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q20G3J3J
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50020515 (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	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50020529 (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	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50020521 (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	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50280246 (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	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against rat choline acetyltransferase (ChAT)				Bioorg Med Chem Lett 2: 1493-1496 (1992) Article DOI: 10.1016/S0960-894X(00)80415-1 BindingDB Entry DOI: 10.7270/Q2QN66PD
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50020514 (2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...) Show SMILES COC[n+]1ccn(C)c1CN=O Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.03E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair