Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'páez' and Initial = 'ja'   

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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300767 (CHEMBL570566 | {[(9Z)-octadec-9-en-1-yl]sulfamoyl}...) Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h9-10,20H,2-8,11-18H2,1H3,(H2,19,21,22)/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300765 (CHEMBL583108 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C23H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(26,27)24-22-4-2/h8-9,11-12,14-15,17-18,24-25H,3-7,10,13,16,19-23H2,1-2H3/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300770 (CHEMBL568489 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(N)(=O)=O Show InChI InChI=1S/C20H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(21,23)24/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-20H2,1H3,(H2,21,23,24)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300769 (CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300771 (CHEMBL570988 | N-(cis-9-cis-12-octadecadienyl)sulf...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300766 (CHEMBL569658 | N-(cis-9-cis-12-octadecadienyl)-N'-...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h8-9,11-12,22-23H,3-7,10,13-21H2,1-2H3/b9-8-,12-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300769 (CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300764 (CHEMBL571044 | N-oleyl-N'-propylsulfamide) Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h11-12,22-23H,3-10,13-21H2,1-2H3/b12-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300768 (CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...) Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202579 (CHEMBL218794 | N-octadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h20H,2-18H2,1H3,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300768 (CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...) Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447027 (CHEMBL3116284) Show SMILES C(Cn1nc(OCc2cccc3ccccc23)c2ccccc12)N1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-6-15-27(16-7-1)17-18-28-24-14-5-4-13-23(24)25(26-28)29-19-21-11-8-10-20-9-2-3-12-22(20)21/h2-5,8-14H,1,6-7,15-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447026 (CHEMBL3116286) Show SMILES C(Cn1nc(OCc2ccc3ccccc3c2)c2ccccc12)N1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-6-14-27(15-7-1)16-17-28-24-11-5-4-10-23(24)25(26-28)29-19-20-12-13-21-8-2-3-9-22(21)18-20/h2-5,8-13,18H,1,6-7,14-17,19H2	PDB UniProtKB/SwissProt 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
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447015 (CHEMBL3116300) Show SMILES Nc1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H28N4O/c26-22-10-11-24-23(17-22)25(27-29(24)15-14-28-12-4-1-5-13-28)30-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447020 (CHEMBL3116294) Show SMILES [O-][N+](=O)c1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H26N4O3/c30-29(31)22-10-11-24-23(17-22)25(26-28(24)15-14-27-12-4-1-5-13-27)32-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447030 (CHEMBL3116280) Show SMILES COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447028 (CHEMBL3116283) Show SMILES C(Cn1nc(OCc2cccc3ccccc23)c2ccccc12)N1CCCC1 Show InChI InChI=1S/C24H25N3O/c1-2-11-21-19(8-1)9-7-10-20(21)18-28-24-22-12-3-4-13-23(22)27(25-24)17-16-26-14-5-6-15-26/h1-4,7-13H,5-6,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447021 (CHEMBL3116293) Show SMILES CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H23N3O3/c1-2-3-6-13-25-22-12-11-20(26(27)28)15-21(22)23(24-25)29-16-17-9-10-18-7-4-5-8-19(18)14-17/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447022 (CHEMBL3116289) Show SMILES CCCCCn1nc(OCc2ccc(OC)cc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C20H23N3O4/c1-3-4-5-12-22-19-11-8-16(23(24)25)13-18(19)20(21-22)27-14-15-6-9-17(26-2)10-7-15/h6-11,13H,3-5,12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447023 (CHEMBL1973869) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCc3ccccc3)c2c1 Show InChI InChI=1S/C21H17N3O3/c25-24(26)18-11-12-20-19(13-18)21(27-15-17-9-5-2-6-10-17)22-23(20)14-16-7-3-1-4-8-16/h1-13H,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447024 (CHEMBL3116288) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCC3CCCCC3)c2c1 Show InChI InChI=1S/C21H23N3O3/c25-24(26)18-11-12-20-19(13-18)21(27-15-17-9-5-2-6-10-17)22-23(20)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447018 (CHEMBL3116296) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H19N3O3/c29-28(30)22-12-13-24-23(15-22)25(26-27(24)16-18-6-2-1-3-7-18)31-17-19-10-11-20-8-4-5-9-21(20)14-19/h1-15H,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447016 (CHEMBL3116298) Show SMILES Nc1ccc2n(Cc3ccccc3)nc(OCc3ccccc3)c2c1 Show InChI InChI=1S/C21H19N3O/c22-18-11-12-20-19(13-18)21(25-15-17-9-5-2-6-10-17)23-24(20)14-16-7-3-1-4-8-16/h1-13H,14-15,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447029 (CHEMBL3116281) Show SMILES COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C23H22N2O3/c1-26-19-11-7-17(8-12-19)15-25-22-6-4-3-5-21(22)23(24-25)28-16-18-9-13-20(27-2)14-10-18/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447031 (CHEMBL3116278) Show SMILES C(Oc1nn(CC2CCCCC2)c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C21H30N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)21(22-23)24-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447017 (CHEMBL3116297) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccc4ccccc4c3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C29H21N3O3/c33-32(34)26-13-14-28-27(17-26)29(35-19-21-10-12-23-6-2-4-8-25(23)16-21)30-31(28)18-20-9-11-22-5-1-3-7-24(22)15-20/h1-17H,18-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447019 (CHEMBL3116295) Show SMILES [O-][N+](=O)c1ccc2n(CCN3CCOCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C24H24N4O4/c29-28(30)21-7-8-23-22(16-21)24(25-27(23)10-9-26-11-13-31-14-12-26)32-17-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,15-16H,9-14,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447025 (CHEMBL3116287) Show SMILES CCCCCOc1nn(CCCCC)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C17H25N3O3/c1-3-5-7-11-19-16-10-9-14(20(21)22)13-15(16)17(18-19)23-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair