Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'braunschweig' and Initial = 'h'   

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
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220046 (CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...) Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31 Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220045 (CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...) Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31 Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50475690 (4,4''-Diallylcaracurinium V Dibromide | Diallylcar...) Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:27| Show InChI InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48;;/h3-14,29-30,35-42H,1-2,15-26H2;2*1H/q+2;;/p-2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50475689 (4,4''-Dimethylcaracurinium V Dichloride | Dimethyl...) Show SMILES [Cl-].[Cl-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:25| Show InChI InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44;;/h3-12,25-26,31-38H,13-22H2,1-2H3;2*1H/q+2;;/p-2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43?,44?;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220060 ((14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-...) Show SMILES CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31 Show InChI InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50025037 (CHEBI:3382 | Caracurine V) Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24| Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50041517 (4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...) Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1 Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307921 ((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...) Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1 Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307921 ((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...) Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1 Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50041517 (4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...) Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1 Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307927 (4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)| Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307928 (1-(2,6-dichlorobenzyl)-4-((2,6-dichlorobenzylidene...) Show SMILES Clc1cccc(Cl)c1Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(6.37,-36.83,;6.37,-38.37,;7.71,-39.13,;7.71,-40.68,;6.37,-41.45,;5.04,-40.67,;3.7,-41.44,;5.05,-39.14,;3.72,-38.36,;2.39,-39.13,;2.38,-40.67,;1.05,-41.44,;-.28,-40.67,;-.29,-39.13,;1.05,-38.36,;-1.61,-41.44,;-2.95,-40.67,;-4.28,-41.44,;-5.62,-40.68,;-5.61,-39.14,;-4.28,-38.37,;-6.95,-38.37,;-8.28,-39.14,;-8.28,-40.69,;-6.94,-41.45,;-6.93,-42.99,)| Show InChI InChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307925 (1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)| Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307926 (4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)| Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307927 (4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)| Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307924 (4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,...) Show SMILES Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)| Show InChI InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50231232 (1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichloro...) Show SMILES Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 Show InChI InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307925 (1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)| Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50231234 (1-(3-phenylpropyl)piperidine-4-carbaldehyde O-2,6-...) Show SMILES Clc1cccc(Cl)c1CO\N=C\C1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307926 (4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...) Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)| Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50231232 (1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichloro...) Show SMILES Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 Show InChI InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2	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
Ege-University Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307923 (1-(3-phenylpropyl)piperidine-4-carbaldehyde oxime ...) Show SMILES O=NCC1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C15H22N2O/c18-16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50307924 (4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,...) Show SMILES Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)| Show InChI InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ege-University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				Bioorg Med Chem 18: 2049-59 (2010) Article DOI: 10.1016/j.bmc.2010.01.002 BindingDB Entry DOI: 10.7270/Q2GH9J3H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220046 (CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...) Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31 Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50475690 (4,4''-Diallylcaracurinium V Dibromide | Diallylcar...) Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:27| Show InChI InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48;;/h3-14,29-30,35-42H,1-2,15-26H2;2*1H/q+2;;/p-2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220045 (CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...) Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31 Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220046 (CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...) Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31 Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50025037 (CHEBI:3382 | Caracurine V) Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24| Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	437	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50475689 (4,4''-Dimethylcaracurinium V Dichloride | Dimethyl...) Show SMILES [Cl-].[Cl-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:25| Show InChI InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44;;/h3-12,25-26,31-38H,13-22H2,1-2H3;2*1H/q+2;;/p-2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43?,44?;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.10	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220060 ((14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-...) Show SMILES CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31 Show InChI InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	447	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220060 ((14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-...) Show SMILES CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31 Show InChI InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50220045 (CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...) Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31 Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair