Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50032692   

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
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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333148 (5-Amino-2-(dimethylamino)-6,7,8,9-tetrahydrobenzo[...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H17N5/c1-20(2)15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,3-6H2,1-2H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333150 (5-Amino-2-piperidin-1-yl-6,7,8,9-tetrahydrobenzo[1...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C18H21N5/c19-11-12-10-14-16(20)13-6-2-3-7-15(13)21-17(14)22-18(12)23-8-4-1-5-9-23/h10H,1-9H2,(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
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	27	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333151 (5-Amino-2-(prop-2-yn-1-ylamino)-6,7,8,9-tetrahydro...) Show SMILES Nc1c2CCCCc2nc2nc(NCC#C)c(cc12)C#N Show InChI InChI=1S/C16H15N5/c1-2-7-19-15-10(9-17)8-12-14(18)11-5-3-4-6-13(11)20-16(12)21-15/h1,8H,3-7H2,(H3,18,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333149 (5-Amino-2-pyrrolidin-1-yl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCC3)c(cc12)C#N Show InChI InChI=1S/C17H19N5/c18-10-11-9-13-15(19)12-5-1-2-6-14(12)20-16(13)21-17(11)22-7-3-4-8-22/h9H,1-8H2,(H2,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333154 (5-Amino-2-(ethyloxy)-6,7,8,9-tetrahydrobenzo[1,8-b...) Show SMILES CCOc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H16N4O/c1-2-20-15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,2-6H2,1H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333153 (5-Amino-2-(methyloxy)-6,7,8,9-tetrahydrobenzo[1,8-...) Show SMILES COc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C14H14N4O/c1-19-14-8(7-15)6-10-12(16)9-4-2-3-5-11(9)17-13(10)18-14/h6H,2-5H2,1H3,(H2,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333155 (5-Amino-2-methoxy-4-phenyl-6,7,8,9-tetrahydrobenzo...) Show SMILES COc1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H18N4O/c1-25-20-14(11-21)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-15(13)23-19(17)24-20/h2-4,7-8H,5-6,9-10H2,1H3,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333152 (5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahy...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H21N5/c1-26(2)21-15(12-22)17(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)24-20(18)25-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333148 (5-Amino-2-(dimethylamino)-6,7,8,9-tetrahydrobenzo[...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H17N5/c1-20(2)15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,3-6H2,1-2H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333149 (5-Amino-2-pyrrolidin-1-yl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCC3)c(cc12)C#N Show InChI InChI=1S/C17H19N5/c18-10-11-9-13-15(19)12-5-1-2-6-14(12)20-16(13)21-17(11)22-7-3-4-8-22/h9H,1-8H2,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333158 (5-Amino-7-benzyl-2-methoxy-6,7,8,9-tetrahydropyrid...) Show SMILES COc1nc2nc3CCN(Cc4ccccc4)Cc3c(N)c2cc1C#N Show InChI InChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333159 (5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido...) Show SMILES Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C19H16ClN5/c20-18-13(9-21)8-14-17(22)15-11-25(10-12-4-2-1-3-5-12)7-6-16(15)23-19(14)24-18/h1-5,8H,6-7,10-11H2,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333150 (5-Amino-2-piperidin-1-yl-6,7,8,9-tetrahydrobenzo[1...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C18H21N5/c19-11-12-10-14-16(20)13-6-2-3-7-15(13)21-17(14)22-18(12)23-8-4-1-5-9-23/h10H,1-9H2,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333154 (5-Amino-2-(ethyloxy)-6,7,8,9-tetrahydrobenzo[1,8-b...) Show SMILES CCOc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H16N4O/c1-2-20-15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,2-6H2,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333151 (5-Amino-2-(prop-2-yn-1-ylamino)-6,7,8,9-tetrahydro...) Show SMILES Nc1c2CCCCc2nc2nc(NCC#C)c(cc12)C#N Show InChI InChI=1S/C16H15N5/c1-2-7-19-15-10(9-17)8-12-14(18)11-5-3-4-6-13(11)20-16(12)21-15/h1,8H,3-7H2,(H3,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333153 (5-Amino-2-(methyloxy)-6,7,8,9-tetrahydrobenzo[1,8-...) Show SMILES COc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C14H14N4O/c1-19-14-8(7-15)6-10-12(16)9-4-2-3-5-11(9)17-13(10)18-14/h6H,2-5H2,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333151 (5-Amino-2-(prop-2-yn-1-ylamino)-6,7,8,9-tetrahydro...) Show SMILES Nc1c2CCCCc2nc2nc(NCC#C)c(cc12)C#N Show InChI InChI=1S/C16H15N5/c1-2-7-19-15-10(9-17)8-12-14(18)11-5-3-4-6-13(11)20-16(12)21-15/h1,8H,3-7H2,(H3,18,19,20,21)	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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333150 (5-Amino-2-piperidin-1-yl-6,7,8,9-tetrahydrobenzo[1...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C18H21N5/c19-11-12-10-14-16(20)13-6-2-3-7-15(13)21-17(14)22-18(12)23-8-4-1-5-9-23/h10H,1-9H2,(H2,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333152 (5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahy...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H21N5/c1-26(2)21-15(12-22)17(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)24-20(18)25-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333155 (5-Amino-2-methoxy-4-phenyl-6,7,8,9-tetrahydrobenzo...) Show SMILES COc1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H18N4O/c1-25-20-14(11-21)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-15(13)23-19(17)24-20/h2-4,7-8H,5-6,9-10H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333158 (5-Amino-7-benzyl-2-methoxy-6,7,8,9-tetrahydropyrid...) Show SMILES COc1nc2nc3CCN(Cc4ccccc4)Cc3c(N)c2cc1C#N Show InChI InChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333156 (5-Amino-2-chloro-6,7,8,9-tetrahydrobenzo[1,8-b]-na...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C13H11ClN4/c14-12-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-13(9)18-12/h5H,1-4H2,(H2,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333155 (5-Amino-2-methoxy-4-phenyl-6,7,8,9-tetrahydrobenzo...) Show SMILES COc1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H18N4O/c1-25-20-14(11-21)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-15(13)23-19(17)24-20/h2-4,7-8H,5-6,9-10H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333148 (5-Amino-2-(dimethylamino)-6,7,8,9-tetrahydrobenzo[...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H17N5/c1-20(2)15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,3-6H2,1-2H3,(H2,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333149 (5-Amino-2-pyrrolidin-1-yl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(N3CCCC3)c(cc12)C#N Show InChI InChI=1S/C17H19N5/c18-10-11-9-13-15(19)12-5-1-2-6-14(12)20-16(13)21-17(11)22-7-3-4-8-22/h9H,1-8H2,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333152 (5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahy...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H21N5/c1-26(2)21-15(12-22)17(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)24-20(18)25-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333153 (5-Amino-2-(methyloxy)-6,7,8,9-tetrahydrobenzo[1,8-...) Show SMILES COc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C14H14N4O/c1-19-14-8(7-15)6-10-12(16)9-4-2-3-5-11(9)17-13(10)18-14/h6H,2-5H2,1H3,(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333157 (5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C19H15ClN4/c20-18-13(10-21)15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-14(12)23-19(16)24-18/h1-3,6-7H,4-5,8-9H2,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333157 (5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C19H15ClN4/c20-18-13(10-21)15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-14(12)23-19(16)24-18/h1-3,6-7H,4-5,8-9H2,(H2,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333156 (5-Amino-2-chloro-6,7,8,9-tetrahydrobenzo[1,8-b]-na...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C13H11ClN4/c14-12-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-13(9)18-12/h5H,1-4H2,(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333154 (5-Amino-2-(ethyloxy)-6,7,8,9-tetrahydrobenzo[1,8-b...) Show SMILES CCOc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H16N4O/c1-2-20-15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,2-6H2,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333158 (5-Amino-7-benzyl-2-methoxy-6,7,8,9-tetrahydropyrid...) Show SMILES COc1nc2nc3CCN(Cc4ccccc4)Cc3c(N)c2cc1C#N Show InChI InChI=1S/C20H19N5O/c1-26-20-14(10-21)9-15-18(22)16-12-25(11-13-5-3-2-4-6-13)8-7-17(16)23-19(15)24-20/h2-6,9H,7-8,11-12H2,1H3,(H2,22,23,24)	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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333159 (5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido...) Show SMILES Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C19H16ClN5/c20-18-13(9-21)8-14-17(22)15-11-25(10-12-4-2-1-3-5-12)7-6-16(15)23-19(14)24-18/h1-5,8H,6-7,10-11H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50333159 (5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido...) Show SMILES Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C19H16ClN5/c20-18-13(9-21)8-14-17(22)15-11-25(10-12-4-2-1-3-5-12)7-6-16(15)23-19(14)24-18/h1-5,8H,6-7,10-11H2,(H2,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333157 (5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C19H15ClN4/c20-18-13(10-21)15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-14(12)23-19(16)24-18/h1-3,6-7H,4-5,8-9H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333156 (5-Amino-2-chloro-6,7,8,9-tetrahydrobenzo[1,8-b]-na...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C13H11ClN4/c14-12-7(6-15)5-9-11(16)8-3-1-2-4-10(8)17-13(9)18-12/h5H,1-4H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair