Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'yeung' and Initial = 'jc'   

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	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					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	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387090 (CHEMBL2047229) Show SMILES COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5O/c1-30-22-9-7-19(8-10-22)17-26-23-11-14-25-24(28-23)27-21-12-15-29(16-13-21)18-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-18H2,1H3,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387094 (CHEMBL2047224) Show SMILES Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-4-7-19(15-20)16-26-22-9-12-25-23(28-22)27-21-10-13-29(14-11-21)17-18-5-2-1-3-6-18/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387092 (CHEMBL2047227) Show SMILES Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26FN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387088 (CHEMBL2047375) Show SMILES C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H27N5O2/c1-2-4-18(5-3-1)16-29-12-9-20(10-13-29)27-24-25-11-8-23(28-24)26-15-19-6-7-21-22(14-19)31-17-30-21/h1-8,11,14,20H,9-10,12-13,15-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,11-12,14-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342149 (2-(4-Methylpiperidin-1-yl)-N-(naphth-1-ylmethyl)py...) Show SMILES CC1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H24N4/c1-16-10-13-25(14-11-16)21-22-12-9-20(24-21)23-15-18-7-4-6-17-5-2-3-8-19(17)18/h2-9,12,16H,10-11,13-15H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387092 (CHEMBL2047227) Show SMILES Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26FN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,11-12,14-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387091 (CHEMBL2047228) Show SMILES Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5/c1-19-7-9-20(10-8-19)17-26-23-11-14-25-24(28-23)27-22-12-15-29(16-13-22)18-21-5-3-2-4-6-21/h2-11,14,22H,12-13,15-18H2,1H3,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387094 (CHEMBL2047224) Show SMILES Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-4-7-19(15-20)16-26-22-9-12-25-23(28-22)27-21-10-13-29(14-11-21)17-18-5-2-1-3-6-18/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50319981 (2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethy...) Show SMILES CN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H23N5/c1-24-11-13-25(14-12-24)20-21-10-9-19(23-20)22-15-17-7-4-6-16-5-2-3-8-18(16)17/h2-10H,11-15H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387093 (CHEMBL2047225) Show SMILES Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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	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	DrugBank PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387093 (CHEMBL2047225) Show SMILES Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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	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	DrugBank PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50354727 (CHEMBL1834063) Show SMILES C(Nc1ccnc(n1)N1CCN(CC1)C1CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H31N5/c1-2-10-22(11-3-1)29-15-17-30(18-16-29)25-26-14-13-24(28-25)27-19-21-9-6-8-20-7-4-5-12-23(20)21/h4-9,12-14,22H,1-3,10-11,15-19H2,(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387088 (CHEMBL2047375) Show SMILES C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H27N5O2/c1-2-4-18(5-3-1)16-29-12-9-20(10-13-29)27-24-25-11-8-23(28-24)26-15-19-6-7-21-22(14-19)31-17-30-21/h1-8,11,14,20H,9-10,12-13,15-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387097 (CHEMBL2047226) Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387090 (CHEMBL2047229) Show SMILES COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5O/c1-30-22-9-7-19(8-10-22)17-26-23-11-14-25-24(28-23)27-21-12-15-29(16-13-21)18-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-18H2,1H3,(H2,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50354724 (CHEMBL1834060) Show SMILES CC(C)N1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C22H27N5/c1-17(2)26-12-14-27(15-13-26)22-23-11-10-21(25-22)24-16-19-8-5-7-18-6-3-4-9-20(18)19/h3-11,17H,12-16H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50354737 (CHEMBL1834074) Show SMILES C1CCC(CC1)N1CCN(CC1)c1nccc(NC(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C27H33N5/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)29-25-16-17-28-27(30-25)32-20-18-31(19-21-32)24-14-8-3-9-15-24/h1-2,4-7,10-13,16-17,24,26H,3,8-9,14-15,18-21H2,(H,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387089 (CHEMBL2047231) Show SMILES COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC Show InChI InChI=1S/C26H33N5O3/c1-32-22-15-20(16-23(33-2)25(22)34-3)17-28-24-9-12-27-26(30-24)29-21-10-13-31(14-11-21)18-19-7-5-4-6-8-19/h4-9,12,15-16,21H,10-11,13-14,17-18H2,1-3H3,(H2,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387094 (CHEMBL2047224) Show SMILES Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-4-7-19(15-20)16-26-22-9-12-25-23(28-22)27-21-10-13-29(14-11-21)17-18-5-2-1-3-6-18/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,25,26,27,28)	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387095 (CHEMBL2047223) Show SMILES Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H26ClN5/c24-21-9-5-4-8-19(21)16-26-22-10-13-25-23(28-22)27-20-11-14-29(15-12-20)17-18-6-2-1-3-7-18/h1-10,13,20H,11-12,14-17H2,(H2,25,26,27,28)	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387092 (CHEMBL2047227) Show SMILES Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26FN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50354727 (CHEMBL1834063) Show SMILES C(Nc1ccnc(n1)N1CCN(CC1)C1CCCCC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H31N5/c1-2-10-22(11-3-1)29-15-17-30(18-16-29)25-26-14-13-24(28-25)27-19-21-9-6-8-20-7-4-5-12-23(20)21/h4-9,12-14,22H,1-3,10-11,15-19H2,(H,26,27,28)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387093 (CHEMBL2047225) Show SMILES Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26ClN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387089 (CHEMBL2047231) Show SMILES COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC Show InChI InChI=1S/C26H33N5O3/c1-32-22-15-20(16-23(33-2)25(22)34-3)17-28-24-9-12-27-26(30-24)29-21-10-13-31(14-11-21)18-19-7-5-4-6-8-19/h4-9,12,15-16,21H,10-11,13-14,17-18H2,1-3H3,(H2,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50354725 (CHEMBL1834061) Show SMILES CC(C)C1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C23H28N4/c1-17(2)18-11-14-27(15-12-18)23-24-13-10-22(26-23)25-16-20-8-5-7-19-6-3-4-9-21(19)20/h3-10,13,17-18H,11-12,14-16H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387090 (CHEMBL2047229) Show SMILES COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5O/c1-30-22-9-7-19(8-10-22)17-26-23-11-14-25-24(28-23)27-21-12-15-29(16-13-21)18-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-18H2,1H3,(H2,25,26,27,28)	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	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50354734 (CHEMBL1834071) Show SMILES CC(C)N1CCN(CC1)c1nccc(NC(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C24H29N5/c1-19(2)28-15-17-29(18-16-28)24-25-14-13-22(27-24)26-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,23H,15-18H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50354730 (CHEMBL1834067) Show SMILES OCCN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H25N5O/c27-15-14-25-10-12-26(13-11-25)21-22-9-8-20(24-21)23-16-18-6-3-5-17-4-1-2-7-19(17)18/h1-9,27H,10-16H2,(H,22,23,24)	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	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387097 (CHEMBL2047226) Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)	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	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387096 (CHEMBL2047230) Show SMILES COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1OC Show InChI InChI=1S/C25H31N5O2/c1-31-22-9-8-20(16-23(22)32-2)17-27-24-10-13-26-25(29-24)28-21-11-14-30(15-12-21)18-19-6-4-3-5-7-19/h3-10,13,16,21H,11-12,14-15,17-18H2,1-2H3,(H2,26,27,28,29)	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	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50354737 (CHEMBL1834074) Show SMILES C1CCC(CC1)N1CCN(CC1)c1nccc(NC(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C27H33N5/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)29-25-16-17-28-27(30-25)32-20-18-31(19-21-32)24-14-8-3-9-15-24/h1-2,4-7,10-13,16-17,24,26H,3,8-9,14-15,18-21H2,(H,28,29,30)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387089 (CHEMBL2047231) Show SMILES COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC Show InChI InChI=1S/C26H33N5O3/c1-32-22-15-20(16-23(33-2)25(22)34-3)17-28-24-9-12-27-26(30-24)29-21-10-13-31(14-11-21)18-19-7-5-4-6-8-19/h4-9,12,15-16,21H,10-11,13-14,17-18H2,1-3H3,(H2,27,28,29,30)	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	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50387091 (CHEMBL2047228) Show SMILES Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5/c1-19-7-9-20(10-8-19)17-26-23-11-14-25-24(28-23)27-22-12-15-29(16-13-22)18-21-5-3-2-4-6-21/h2-11,14,22H,12-13,15-18H2,1H3,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50387096 (CHEMBL2047230) Show SMILES COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1OC Show InChI InChI=1S/C25H31N5O2/c1-31-22-9-8-20(16-23(22)32-2)17-27-24-10-13-26-25(29-24)28-21-11-14-30(15-12-21)18-19-6-4-3-5-7-19/h3-10,13,16,21H,11-12,14-15,17-18H2,1-2H3,(H2,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50354731 (CHEMBL1834068) Show SMILES COCCN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C22H27N5O/c1-28-16-15-26-11-13-27(14-12-26)22-23-10-9-21(25-22)24-17-19-7-4-6-18-5-2-3-8-20(18)19/h2-10H,11-17H2,1H3,(H,23,24,25)	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	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387088 (CHEMBL2047375) Show SMILES C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H27N5O2/c1-2-4-18(5-3-1)16-29-12-9-20(10-13-29)27-24-25-11-8-23(28-24)26-15-19-6-7-21-22(14-19)31-17-30-21/h1-8,11,14,20H,9-10,12-13,15-17H2,(H2,25,26,27,28)	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	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50387091 (CHEMBL2047228) Show SMILES Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 Show InChI InChI=1S/C24H29N5/c1-19-7-9-20(10-8-19)17-26-23-11-14-25-24(28-23)27-22-12-15-29(16-13-22)18-21-5-3-2-4-6-21/h2-11,14,22H,12-13,15-18H2,1H3,(H2,25,26,27,28)	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	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair

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