Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50032084   

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))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Binding affinity to Electrophorus electricus AChE peripheral anionic site				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Binding affinity to Electrophorus electricus AChE peripheral anionic site				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324068 (2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...) Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Non competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324067 (2-Chloro-6-(pyrrolidin-1'-yl)pyridine-3,5-dicarbon...) Show SMILES Clc1nc(N2CCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C11H9ClN4/c12-10-8(6-13)5-9(7-14)11(15-10)16-3-1-2-4-16/h5H,1-4H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324049 (2-Amino-6-(pyrrolidin-1'-yl)pyridine-3,5-dicarboni...) Show SMILES Nc1nc(N2CCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C11H11N5/c12-6-8-5-9(7-13)11(15-10(8)14)16-3-1-2-4-16/h5H,1-4H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324059 (2-Amino-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)-4-phe...) Show SMILES Nc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |THB:3:4:6.7:10.9| Show InChI InChI=1S/C19H17N5/c20-10-15-17(12-4-2-1-3-5-12)16(11-21)19(23-18(15)22)24-13-6-7-14(24)9-8-13/h1-5,13-14H,6-9H2,(H2,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324066 (2-Chloro-6-(dimethylamino)pyridine-3,5-dicarbonitr...) Show SMILES CN(C)c1nc(Cl)c(cc1C#N)C#N Show InChI InChI=1S/C9H7ClN4/c1-14(2)9-7(5-12)3-6(4-11)8(10)13-9/h3H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324071 (2-Chloro-6-(pyrrolidin-1'-yl)-4-phenylpyridine-3,5...) Show SMILES Clc1nc(N2CCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C17H13ClN4/c18-16-13(10-19)15(12-6-2-1-3-7-12)14(11-20)17(21-16)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324068 (2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...) Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324070 (2-Chloro-6-(dimethylamino)-4-phenylpyridine-3,5-di...) Show SMILES CN(C)c1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C15H11ClN4/c1-20(2)15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,1-2H3	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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324048 (2-Amino-6-dimethylamino-pyridine-3,5-dicarbonitril...) Show SMILES CN(C)c1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C9H9N5/c1-14(2)9-7(5-11)3-6(4-10)8(12)13-9/h3H,1-2H3,(H2,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324069 (2-Chloro-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)pyrid...) Show SMILES Clc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9| Show InChI InChI=1S/C13H11ClN4/c14-12-8(6-15)5-9(7-16)13(17-12)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324050 (2-Amino-6-(piperidin-1'-yl)pyridine-3,5-dicarbonit...) Show SMILES Nc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H13N5/c13-7-9-6-10(8-14)12(16-11(9)15)17-4-2-1-3-5-17/h6H,1-5H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324069 (2-Chloro-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)pyrid...) Show SMILES Clc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9| Show InChI InChI=1S/C13H11ClN4/c14-12-8(6-15)5-9(7-16)13(17-12)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324063 (2-Amino-6-(3-phenylpropoxy)pyridine-3,5-dicarbonit...) Show SMILES Nc1nc(OCCCc2ccccc2)c(cc1C#N)C#N Show InChI InChI=1S/C16H14N4O/c17-10-13-9-14(11-18)16(20-15(13)19)21-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8H2,(H2,19,20)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324064 (2-Amino-4-phenyl-6-(phenylthio)pyridine-3,5-dicarb...) Show SMILES Nc1nc(Sc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C19H12N4S/c20-11-15-17(13-7-3-1-4-8-13)16(12-21)19(23-18(15)22)24-14-9-5-2-6-10-14/h1-10H,(H2,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM74685 (2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-d...) Show SMILES Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C13H8N4S/c14-6-9-11(8-4-2-1-3-5-8)10(7-15)13(18)17-12(9)16/h1-5H,(H3,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324052 (2-Amino-6-(4-hydroxy-piperidin-1'-yl)pyridine-3,5-...) Show SMILES Nc1nc(N2CCC(O)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H13N5O/c13-6-8-5-9(7-14)12(16-11(8)15)17-3-1-10(18)2-4-17/h5,10,18H,1-4H2,(H2,15,16)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324072 (2-Chloro-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-d...) Show SMILES Clc1nc(N2CCCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C18H15ClN4/c19-17-14(11-20)16(13-7-3-1-4-8-13)15(12-21)18(22-17)23-9-5-2-6-10-23/h1,3-4,7-8H,2,5-6,9-10H2	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324073 (2-Chloro-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)-4-ph...) Show SMILES Clc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |TLB:3:4:9.10:6.7| Show InChI InChI=1S/C19H15ClN4/c20-18-15(10-21)17(12-4-2-1-3-5-12)16(11-22)19(23-18)24-13-6-7-14(24)9-8-13/h1-5,13-14H,6-9H2	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324048 (2-Amino-6-dimethylamino-pyridine-3,5-dicarbonitril...) Show SMILES CN(C)c1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C9H9N5/c1-14(2)9-7(5-11)3-6(4-10)8(12)13-9/h3H,1-2H3,(H2,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324049 (2-Amino-6-(pyrrolidin-1'-yl)pyridine-3,5-dicarboni...) Show SMILES Nc1nc(N2CCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C11H11N5/c12-6-8-5-9(7-13)11(15-10(8)14)16-3-1-2-4-16/h5H,1-4H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324051 (2-Amino-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)pyridi...) Show SMILES Nc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9| Show InChI InChI=1S/C13H13N5/c14-6-8-5-9(7-15)13(17-12(8)16)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324052 (2-Amino-6-(4-hydroxy-piperidin-1'-yl)pyridine-3,5-...) Show SMILES Nc1nc(N2CCC(O)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H13N5O/c13-6-8-5-9(7-14)12(16-11(8)15)17-3-1-10(18)2-4-17/h5,10,18H,1-4H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324053 (2-Amino-6-(2-hydroxyethylamine)pyridine-3,5-dicarb...) Show SMILES Nc1nc(NCCO)c(cc1C#N)C#N Show InChI InChI=1S/C9H9N5O/c10-4-6-3-7(5-11)9(13-1-2-15)14-8(6)12/h3,15H,1-2H2,(H3,12,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324054 (2-Amino-6-propargylamine-pyridine-3,5-dicarbonitri...) Show SMILES Nc1nc(NCC#C)c(cc1C#N)C#N Show InChI InChI=1S/C10H7N5/c1-2-3-14-10-8(6-12)4-7(5-11)9(13)15-10/h1,4H,3H2,(H3,13,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324055 (2-Amino-6-(4-benzylpiperidin-1'-yl)pyridine-3,5-di...) Show SMILES Nc1nc(N2CCC(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C19H19N5/c20-12-16-11-17(13-21)19(23-18(16)22)24-8-6-15(7-9-24)10-14-4-2-1-3-5-14/h1-5,11,15H,6-10H2,(H2,22,23)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324056 (2-Amino-6-dimethylamino-4-phenylpyridine-3,5-dicar...) Show SMILES CN(C)c1nc(N)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C15H13N5/c1-20(2)15-12(9-17)13(10-6-4-3-5-7-10)11(8-16)14(18)19-15/h3-7H,1-2H3,(H2,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324057 (2-Amino-6-(pyrrolidin-1'-yl)-4-phenylpyridine-3,5-...) Show SMILES Nc1nc(N2CCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C17H15N5/c18-10-13-15(12-6-2-1-3-7-12)14(11-19)17(21-16(13)20)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2,(H2,20,21)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324058 (2-Amino-6-(piperidin-1'-yl)-4-phenylpyridine-3,5-d...) Show SMILES Nc1nc(N2CCCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C18H17N5/c19-11-14-16(13-7-3-1-4-8-13)15(12-20)18(22-17(14)21)23-9-5-2-6-10-23/h1,3-4,7-8H,2,5-6,9-10H2,(H2,21,22)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324060 (2-Amino-6-benzylamino-4-phenylpyridine-3,5-dicarbo...) Show SMILES Nc1nc(NCc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H15N5/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(25-19(16)23)24-13-14-7-3-1-4-8-14/h1-10H,13H2,(H3,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324061 (2-Amino-6-methoxypyridine-3,5-dicarbonitrile | CHE...) Show SMILES COc1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C8H6N4O/c1-13-8-6(4-10)2-5(3-9)7(11)12-8/h2H,1H3,(H2,11,12)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324062 (2-Amino-6-ethoxy-pyridine-3,5-dicarbonitrile | CHE...) Show SMILES CCOc1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C9H8N4O/c1-2-14-9-7(5-11)3-6(4-10)8(12)13-9/h3H,2H2,1H3,(H2,12,13)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324063 (2-Amino-6-(3-phenylpropoxy)pyridine-3,5-dicarbonit...) Show SMILES Nc1nc(OCCCc2ccccc2)c(cc1C#N)C#N Show InChI InChI=1S/C16H14N4O/c17-10-13-9-14(11-18)16(20-15(13)19)21-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8H2,(H2,19,20)	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324064 (2-Amino-4-phenyl-6-(phenylthio)pyridine-3,5-dicarb...) Show SMILES Nc1nc(Sc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C19H12N4S/c20-11-15-17(13-7-3-1-4-8-13)16(12-21)19(23-18(15)22)24-14-9-5-2-6-10-14/h1-10H,(H2,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM74685 (2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-d...) Show SMILES Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C13H8N4S/c14-6-9-11(8-4-2-1-3-5-8)10(7-15)13(18)17-12(9)16/h1-5H,(H3,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324066 (2-Chloro-6-(dimethylamino)pyridine-3,5-dicarbonitr...) Show SMILES CN(C)c1nc(Cl)c(cc1C#N)C#N Show InChI InChI=1S/C9H7ClN4/c1-14(2)9-7(5-12)3-6(4-11)8(10)13-9/h3H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324067 (2-Chloro-6-(pyrrolidin-1'-yl)pyridine-3,5-dicarbon...) Show SMILES Clc1nc(N2CCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C11H9ClN4/c12-10-8(6-13)5-9(7-14)11(15-10)16-3-1-2-4-16/h5H,1-4H2	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324068 (2-Chloro-6-(piperidin-1-yl)pyridine-3,5-dicarbonit...) Show SMILES Clc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H11ClN4/c13-11-9(7-14)6-10(8-15)12(16-11)17-4-2-1-3-5-17/h6H,1-5H2	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324070 (2-Chloro-6-(dimethylamino)-4-phenylpyridine-3,5-di...) Show SMILES CN(C)c1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C15H11ClN4/c1-20(2)15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,1-2H3	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324071 (2-Chloro-6-(pyrrolidin-1'-yl)-4-phenylpyridine-3,5...) Show SMILES Clc1nc(N2CCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C17H13ClN4/c18-16-13(10-19)15(12-6-2-1-3-7-12)14(11-20)17(21-16)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324072 (2-Chloro-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-d...) Show SMILES Clc1nc(N2CCCCC2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C18H15ClN4/c19-17-14(11-20)16(13-7-3-1-4-8-13)15(12-21)18(22-17)23-9-5-2-6-10-23/h1,3-4,7-8H,2,5-6,9-10H2	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50324073 (2-Chloro-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)-4-ph...) Show SMILES Clc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |TLB:3:4:9.10:6.7| Show InChI InChI=1S/C19H15ClN4/c20-18-15(10-21)17(12-4-2-1-3-5-12)16(11-22)19(23-18)24-13-6-7-14(24)9-8-13/h1-5,13-14H,6-9H2	PDB MMDB UniProtKB/TrEMBL 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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324051 (2-Amino-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)pyridi...) Show SMILES Nc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9| Show InChI InChI=1S/C13H13N5/c14-6-8-5-9(7-15)13(17-12(8)16)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2,(H2,16,17)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324050 (2-Amino-6-(piperidin-1'-yl)pyridine-3,5-dicarbonit...) Show SMILES Nc1nc(N2CCCCC2)c(cc1C#N)C#N Show InChI InChI=1S/C12H13N5/c13-7-9-6-10(8-14)12(16-11(9)15)17-4-2-1-3-5-17/h6H,1-5H2,(H2,15,16)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324062 (2-Amino-6-ethoxy-pyridine-3,5-dicarbonitrile | CHE...) Show SMILES CCOc1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C9H8N4O/c1-2-14-9-7(5-11)3-6(4-10)8(12)13-9/h3H,2H2,1H3,(H2,12,13)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324061 (2-Amino-6-methoxypyridine-3,5-dicarbonitrile | CHE...) Show SMILES COc1nc(N)c(cc1C#N)C#N Show InChI InChI=1S/C8H6N4O/c1-13-8-6(4-10)2-5(3-9)7(11)12-8/h2H,1H3,(H2,11,12)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324060 (2-Amino-6-benzylamino-4-phenylpyridine-3,5-dicarbo...) Show SMILES Nc1nc(NCc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H15N5/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(25-19(16)23)24-13-14-7-3-1-4-8-14/h1-10H,13H2,(H3,23,24,25)	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
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50324059 (2-Amino-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)-4-phe...) Show SMILES Nc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |THB:3:4:6.7:10.9| Show InChI InChI=1S/C19H17N5/c20-10-15-17(12-4-2-1-3-5-12)16(11-21)19(23-18(15)22)24-13-6-7-14(24)9-8-13/h1-5,13-14H,6-9H2,(H2,22,23)	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 Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>

Jump to: