Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'guzior' and Initial = 'n'   

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
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492908 (CHEMBL2414190) Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C29H32N2O2/c32-21-18-27(29(33)30-22-23-10-4-1-5-11-23)31-19-16-26(17-20-31)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27,32H,16-22H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492912 (CHEMBL2414193) Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H31FN2O2/c30-26-13-11-22(12-14-26)21-31-29(34)27(17-20-33)32-18-15-25(16-19-32)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27,33H,15-21H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039246 ((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...) Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492911 (CHEMBL2414173) Show SMILES [#6]-[#6@@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492907 (CHEMBL2414194) Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#8])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](\c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C30H34N2O2/c1-23-12-14-24(15-13-23)22-31-30(34)28(18-21-33)32-19-16-27(17-20-32)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28,33H,16-22H2,1H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492893 (CHEMBL2414186) Show SMILES OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C27H31ClN2O2/c28-25-16-8-7-14-23(25)20-30-27(32)26(17-19-31)29-18-9-15-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-14,16,24,26,29,31H,9,15,17-20H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492894 (CHEMBL2414189) Show SMILES Cc1ccc(CNC(=O)C(CCO)NCCCC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H34N2O2/c1-22-14-16-23(17-15-22)21-30-28(32)27(18-20-31)29-19-8-13-26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26-27,29,31H,8,13,18-21H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492889 (CHEMBL2414187) Show SMILES OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C27H31ClN2O2/c28-24-15-13-21(14-16-24)20-30-27(32)26(17-19-31)29-18-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,29,31H,7,12,17-20H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492892 (CHEMBL2414192) Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O2/c30-26-13-11-22(12-14-26)21-31-29(34)27(17-20-33)32-18-15-25(16-19-32)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27,33H,15-21H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50492895 (CHEMBL2414184) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C29H36N2O2/c1-23-15-17-24(18-16-23)22-30-29(33)28(19-21-32)31(2)20-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,27-28,32H,9,14,19-22H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	2	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of horse serum BChE preincubated for 5 mins by Ellman's method				Eur J Med Chem 45: 5602-11 (2010) Article DOI: 10.1016/j.ejmech.2010.09.010 BindingDB Entry DOI: 10.7270/Q2ZP47CJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					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	17.4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 5 mins by Ellman's method				Eur J Med Chem 45: 5602-11 (2010) Article DOI: 10.1016/j.ejmech.2010.09.010 BindingDB Entry DOI: 10.7270/Q2ZP47CJ
					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	24	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					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	24	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075595 (CHEMBL3415578) Show SMILES Clc1cccc(CNCCCCCN2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C20H21ClN2O2/c21-16-8-6-7-15(13-16)14-22-11-4-1-5-12-23-19(24)17-9-2-3-10-18(17)20(23)25/h2-3,6-10,13,22H,1,4-5,11-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075676 (CHEMBL3415563) Show SMILES Fc1ccccc1CNCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C20H21FN2O2/c21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-23-19(24)16-9-3-4-10-17(16)20(23)25/h2-5,8-11,22H,1,6-7,12-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065051 (CHEMBL3402712) Show SMILES Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C21H23FN2O2.ClH/c1-23(15-16-9-3-6-12-19(16)22)13-7-2-8-14-24-20(25)17-10-4-5-11-18(17)21(24)26;/h3-6,9-12H,2,7-8,13-15H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065052 (CHEMBL3402713) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C22H25FN2O2.ClH/c1-24(16-17-10-4-7-13-20(17)23)14-8-2-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27;/h4-7,10-13H,2-3,8-9,14-16H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075679 (CHEMBL3415558) Show SMILES O=C1N(CCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C20H22N2O2/c23-19-17-11-5-6-12-18(17)20(24)22(19)14-8-2-7-13-21-15-16-9-3-1-4-10-16/h1,3-6,9-12,21H,2,7-8,13-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065047 (CHEMBL3402707) Show SMILES Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 Show InChI InChI=1S/C21H24N2O2.ClH/c1-22(16-17-10-4-2-5-11-17)14-8-3-9-15-23-20(24)18-12-6-7-13-19(18)21(23)25;/h2,4-7,10-13H,3,8-9,14-16H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065048 (CHEMBL3402708) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 Show InChI InChI=1S/C22H26N2O2.ClH/c1-23(17-18-11-5-4-6-12-18)15-9-2-3-10-16-24-21(25)19-13-7-8-14-20(19)22(24)26;/h4-8,11-14H,2-3,9-10,15-17H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065056 (CHEMBL3402718) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H25ClN2O2.ClH/c1-24(16-17-9-8-10-18(23)15-17)13-6-2-3-7-14-25-21(26)19-11-4-5-12-20(19)22(25)27;/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075597 (CHEMBL3415573) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C20H20F2N2O2/c21-15-9-8-14(18(22)12-15)13-23-10-4-1-5-11-24-19(25)16-6-2-3-7-17(16)20(24)26/h2-3,6-9,12,23H,1,4-5,10-11,13H2	UniProtKB/SwissProt 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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065055 (CHEMBL3402717) Show SMILES Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN2O2.ClH/c1-23(15-16-8-7-9-17(22)14-16)12-5-2-6-13-24-20(25)18-10-3-4-11-19(18)21(24)26;/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075666 (CHEMBL3415564) Show SMILES Fc1ccccc1CNCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H23FN2O2/c22-19-12-6-3-9-16(19)15-23-13-7-1-2-8-14-24-20(25)17-10-4-5-11-18(17)21(24)26/h3-6,9-12,23H,1-2,7-8,13-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075592 (CHEMBL3415565) Show SMILES Fc1ccccc1CNCCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H25FN2O2/c23-20-13-7-4-10-17(20)16-24-14-8-2-1-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27/h4-7,10-13,24H,1-3,8-9,14-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake stably transfected in HEK293 cells				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065050 (CHEMBL3402710) Show SMILES Cl.CN(CCCCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 Show InChI InChI=1S/C24H30N2O2.ClH/c1-25(19-20-13-7-6-8-14-20)17-11-4-2-3-5-12-18-26-23(27)21-15-9-10-16-22(21)24(26)28;/h6-10,13-16H,2-5,11-12,17-19H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075595 (CHEMBL3415578) Show SMILES Clc1cccc(CNCCCCCN2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C20H21ClN2O2/c21-16-8-6-7-15(13-16)14-22-11-4-1-5-12-23-19(24)17-9-2-3-10-18(17)20(23)25/h2-3,6-10,13,22H,1,4-5,11-12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075676 (CHEMBL3415563) Show SMILES Fc1ccccc1CNCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C20H21FN2O2/c21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-23-19(24)16-9-3-4-10-17(16)20(23)25/h2-5,8-11,22H,1,6-7,12-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075586 (CHEMBL3415575) Show SMILES Fc1ccc(CNCCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-11-10-16(20(24)14-17)15-25-12-6-2-1-3-7-13-26-21(27)18-8-4-5-9-19(18)22(26)28/h4-5,8-11,14,25H,1-3,6-7,12-13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065049 (CHEMBL3402709) Show SMILES Cl.CN(CCCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 Show InChI InChI=1S/C23H28N2O2.ClH/c1-24(18-19-12-6-5-7-13-19)16-10-3-2-4-11-17-25-22(26)20-14-8-9-15-21(20)23(25)27;/h5-9,12-15H,2-4,10-11,16-18H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075584 (CHEMBL3415579) Show SMILES Clc1cccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C21H23ClN2O2/c22-17-9-7-8-16(14-17)15-23-12-5-1-2-6-13-24-20(25)18-10-3-4-11-19(18)21(24)26/h3-4,7-11,14,23H,1-2,5-6,12-13,15H2	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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075679 (CHEMBL3415558) Show SMILES O=C1N(CCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C20H22N2O2/c23-19-17-11-5-6-12-18(17)20(24)22(19)14-8-2-7-13-21-15-16-9-3-1-4-10-16/h1,3-6,9-12,21H,2,7-8,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075678 (CHEMBL3415559) Show SMILES O=C1N(CCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O2/c24-20-18-12-6-7-13-19(18)21(25)23(20)15-9-2-1-8-14-22-16-17-10-4-3-5-11-17/h3-7,10-13,22H,1-2,8-9,14-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075642 (CHEMBL3415568) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C20H21FN2O2/c21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-23-19(24)17-6-2-3-7-18(17)20(23)25/h2-3,6-11,22H,1,4-5,12-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075587 (CHEMBL3415574) Show SMILES Fc1ccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-10-9-15(19(23)13-16)14-24-11-5-1-2-6-12-25-20(26)17-7-3-4-8-18(17)21(25)27/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075594 (CHEMBL3415560) Show SMILES O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C22H26N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(21)16-10-3-1-2-9-15-23-17-18-11-5-4-6-12-18/h4-8,11-14,23H,1-3,9-10,15-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075597 (CHEMBL3415573) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C20H20F2N2O2/c21-15-9-8-14(18(22)12-15)13-23-10-4-1-5-11-24-19(25)16-6-2-3-7-17(16)20(24)26/h2-3,6-9,12,23H,1,4-5,10-11,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075642 (CHEMBL3415568) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C20H21FN2O2/c21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-23-19(24)17-6-2-3-7-18(17)20(23)25/h2-3,6-11,22H,1,4-5,12-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50075594 (CHEMBL3415560) Show SMILES O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C22H26N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(21)16-10-3-1-2-9-15-23-17-18-11-5-4-6-12-18/h4-8,11-14,23H,1-3,9-10,15-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair

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