Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50031821   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319970 (CHEMBL1086014 | N-benzyl-2-thiomorpholinopyrimidin...) Show SMILES C(Nc1ccnc(n1)N1CCSCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4S/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319972 (CHEMBL1082977 | N-benzyl-2-(4-methylpiperidin-1-yl...) Show SMILES CC1CCN(CC1)c1nccc(NCc2ccccc2)n1 Show InChI InChI=1S/C17H22N4/c1-14-8-11-21(12-9-14)17-18-10-7-16(20-17)19-13-15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319969 (CHEMBL1085781 | N-benzyl-2-morpholinopyrimidin-4-a...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4O/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319971 (CHEMBL1084808 | N-benzyl-2-(4-methylpiperazin-1-yl...) Show SMILES CN1CCN(CC1)c1nccc(NCc2ccccc2)n1 Show InChI InChI=1S/C16H21N5/c1-20-9-11-21(12-10-20)16-17-8-7-15(19-16)18-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319970 (CHEMBL1086014 | N-benzyl-2-thiomorpholinopyrimidin...) Show SMILES C(Nc1ccnc(n1)N1CCSCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4S/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) Show SMILES CN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H23N5/c1-24-11-13-25(14-12-24)20-21-10-9-19(23-20)22-15-17-7-4-6-16-5-2-3-8-18(16)17/h2-10H,11-15H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319972 (CHEMBL1082977 | N-benzyl-2-(4-methylpiperidin-1-yl...) Show SMILES CC1CCN(CC1)c1nccc(NCc2ccccc2)n1 Show InChI InChI=1S/C17H22N4/c1-14-8-11-21(12-9-14)17-18-10-7-16(20-17)19-13-15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319974 (2-morpholino-N-phenethylpyrimidin-4-amine | CHEMBL...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319978 (CHEMBL1084210 | N-(naphthalen-1-ylmethyl)-2-(pyrro...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4/c1-2-9-17-15(6-1)7-5-8-16(17)14-21-18-10-11-20-19(22-18)23-12-3-4-13-23/h1-2,5-11H,3-4,12-14H2,(H,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319978 (CHEMBL1084210 | N-(naphthalen-1-ylmethyl)-2-(pyrro...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4/c1-2-9-17-15(6-1)7-5-8-16(17)14-21-18-10-11-20-19(22-18)23-12-3-4-13-23/h1-2,5-11H,3-4,12-14H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319973 (CHEMBL1082978 | N-phenethyl-2-(pyrrolidin-1-yl)pyr...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCCC1 Show InChI InChI=1S/C16H20N4/c1-2-6-14(7-3-1)8-10-17-15-9-11-18-16(19-15)20-12-4-5-13-20/h1-3,6-7,9,11H,4-5,8,10,12-13H2,(H,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319973 (CHEMBL1082978 | N-phenethyl-2-(pyrrolidin-1-yl)pyr...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCCC1 Show InChI InChI=1S/C16H20N4/c1-2-6-14(7-3-1)8-10-17-15-9-11-18-16(19-15)20-12-4-5-13-20/h1-3,6-7,9,11H,4-5,8,10,12-13H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319976 (2-(4-methylpiperazin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CN1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319980 (CHEMBL1084212 | N-(naphthalen-1-ylmethyl)-2-thiomo...) Show SMILES C(Nc1ccnc(n1)N1CCSCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4S/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319979 (2-morpholino-N-(naphthalen-1-ylmethyl)pyrimidin-4-...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4O/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) Show SMILES CN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H23N5/c1-24-11-13-25(14-12-24)20-21-10-9-19(23-20)22-15-17-7-4-6-16-5-2-3-8-18(16)17/h2-10H,11-15H2,1H3,(H,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319977 (2-(4-methylpiperidin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)18-20-12-8-17(21-18)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319968 (CHEMBL1085780 | N-benzyl-2-(pyrrolidin-1-yl)pyrimi...) Show SMILES C(Nc1ccnc(n1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-2-6-13(7-3-1)12-17-14-8-9-16-15(18-14)19-10-4-5-11-19/h1-3,6-9H,4-5,10-12H2,(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319979 (2-morpholino-N-(naphthalen-1-ylmethyl)pyrimidin-4-...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4O/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319980 (CHEMBL1084212 | N-(naphthalen-1-ylmethyl)-2-thiomo...) Show SMILES C(Nc1ccnc(n1)N1CCSCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4S/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319969 (CHEMBL1085781 | N-benzyl-2-morpholinopyrimidin-4-a...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C15H18N4O/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319975 (CHEMBL1082979 | N-phenethyl-2-thiomorpholinopyrimi...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1 Show InChI InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319974 (2-morpholino-N-phenethylpyrimidin-4-amine | CHEMBL...) Show SMILES C(Cc1ccccc1)Nc1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319971 (CHEMBL1084808 | N-benzyl-2-(4-methylpiperazin-1-yl...) Show SMILES CN1CCN(CC1)c1nccc(NCc2ccccc2)n1 Show InChI InChI=1S/C16H21N5/c1-20-9-11-21(12-10-20)16-17-8-7-15(19-16)18-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319976 (2-(4-methylpiperazin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CN1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair