Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'gómez-cañas' and Initial = 'm'   

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 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.70	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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7.30	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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	46	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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431807 (CHEMBL2347041) Show SMILES CCCCCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H19Cl3N2/c1-2-3-4-5-17-13-20(14-6-8-15(21)9-7-14)25(24-17)19-11-10-16(22)12-18(19)23/h6-13H,2-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	458	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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	829	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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431808 (CHEMBL2347040) Show SMILES CCCCCc1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C20H22N2/c1-2-3-6-13-18-16-20(17-11-7-4-8-12-17)22(21-18)19-14-9-5-10-15-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.94E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.08E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431803 (CHEMBL2347045) Show SMILES O=C(NN1CCCCC1)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O/c26-21(23-24-14-8-3-9-15-24)19-16-20(17-10-4-1-5-11-17)25(22-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.59E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431808 (CHEMBL2347040) Show SMILES CCCCCc1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C20H22N2/c1-2-3-6-13-18-16-20(17-11-7-4-8-12-17)22(21-18)19-14-9-5-10-15-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.16E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431800 (CHEMBL2347048) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccccc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H24N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.69E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431804 (CHEMBL2347044) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-32(36)30-27-31(28-22-17-15-18-23-28)35(34-30)29-24-19-16-20-25-29/h15-20,22-25,27H,2-14,21,26H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431798 (CHEMBL2347050) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H42Cl2N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-34-31(38)29-35-30(25-16-18-26(32)19-17-25)37(36-29)28-22-20-27(33)21-23-28/h16-23H,2-15,24H2,1H3,(H,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431801 (CHEMBL2347047) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C33H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-33(37)31-28(2)32(29-23-18-16-19-24-29)36(35-31)30-25-20-17-21-26-30/h16-21,23-26H,3-15,22,27H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431801 (CHEMBL2347047) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C33H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-34-33(37)31-28(2)32(29-23-18-16-19-24-29)36(35-31)30-25-20-17-21-26-30/h16-21,23-26H,3-15,22,27H2,1-2H3,(H,34,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431798 (CHEMBL2347050) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H42Cl2N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-34-31(38)29-35-30(25-16-18-26(32)19-17-25)37(36-29)28-22-20-27(33)21-23-28/h16-23H,2-15,24H2,1H3,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431800 (CHEMBL2347048) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccccc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H24N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431803 (CHEMBL2347045) Show SMILES O=C(NN1CCCCC1)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O/c26-21(23-24-14-8-3-9-15-24)19-16-20(17-10-4-1-5-11-17)25(22-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431807 (CHEMBL2347041) Show SMILES CCCCCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H19Cl3N2/c1-2-3-4-5-17-13-20(14-6-8-15(21)9-7-14)25(24-17)19-11-10-16(22)12-18(19)23/h6-13H,2-5H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431806 (CHEMBL2347042) Show SMILES CCCCCCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H21Cl3N2/c1-2-3-4-5-6-18-14-21(15-7-9-16(22)10-8-15)26(25-18)20-12-11-17(23)13-19(20)24/h7-14H,2-6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431805 (CHEMBL2347043) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C34H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-34(38)32-29-33(30-24-19-17-20-25-30)37(36-32)31-26-21-18-22-27-31/h9-10,17-22,24-27,29H,2-8,11-16,23,28H2,1H3,(H,35,38)/b10-9-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431804 (CHEMBL2347044) Show SMILES CCCCCCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-32(36)30-27-31(28-22-17-15-18-23-28)35(34-30)29-24-19-16-20-25-29/h15-20,22-25,27H,2-14,21,26H2,1H3,(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431802 (CHEMBL2347046) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1nn(c(c1C)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-36-35(39)33-30(2)34(31-25-20-18-21-26-31)38(37-33)32-27-22-19-23-28-32/h10-11,18-23,25-28H,3-9,12-17,24,29H2,1-2H3,(H,36,39)/b11-10-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50431799 (CHEMBL2347049) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H44Cl2N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36-33(40)31-37-32(27-18-20-28(34)21-19-27)39(38-31)30-24-22-29(35)23-25-30/h9-10,18-25H,2-8,11-17,26H2,1H3,(H,36,40)/b10-9-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431806 (CHEMBL2347042) Show SMILES CCCCCCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H21Cl3N2/c1-2-3-4-5-6-18-14-21(15-7-9-16(22)10-8-15)26(25-18)20-12-11-17(23)13-19(20)24/h7-14H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431805 (CHEMBL2347043) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C34H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-34(38)32-29-33(30-24-19-17-20-25-30)37(36-32)31-26-21-18-22-27-31/h9-10,17-22,24-27,29H,2-8,11-16,23,28H2,1H3,(H,35,38)/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431802 (CHEMBL2347046) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1nn(c(c1C)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-36-35(39)33-30(2)34(31-25-20-18-21-26-31)38(37-33)32-27-22-19-23-28-32/h10-11,18-23,25-28H,3-9,12-17,24,29H2,1-2H3,(H,36,39)/b11-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50431799 (CHEMBL2347049) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H44Cl2N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36-33(40)31-37-32(27-18-20-28(34)21-19-27)39(38-31)30-24-22-29(35)23-25-30/h9-10,18-25H,2-8,11-17,26H2,1H3,(H,36,40)/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					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