Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'da costa' and Initial = 'g'   

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 (Homo sapiens (Human))	BDBM50261233 ((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394567 (CHEMBL2160225) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394567 (CHEMBL2160225) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394568 (CHEMBL2160223) Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394569 (CHEMBL2160222) Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394570 (CHEMBL2160224) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394572 (CHEMBL2160219) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394568 (CHEMBL2160223) Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50261202 (CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394572 (CHEMBL2160219) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394582 (CHEMBL2160220) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394581 (CHEMBL2160218) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394580 (CHEMBL2160217) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50261202 (CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50261233 ((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394577 (CHEMBL2160221) Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394569 (CHEMBL2160222) Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394577 (CHEMBL2160221) Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394582 (CHEMBL2160220) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394581 (CHEMBL2160218) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50394580 (CHEMBL2160217) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50394570 (CHEMBL2160224) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3	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
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467895 (CHEMBL4280262) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-29-28(35)26(36-30(29)38-31)21-32-19-13-7-5-3-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32,35H,3-8,10,12-14,16,18-21H2,1-2H3,(H,33,34)/t26-,28+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467897 (CHEMBL4287482) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C33H49N3O5/c1-32(2)38-28-26(37-31-30(29(28)39-32)40-33(3,4)41-31)21-34-19-13-7-5-6-8-14-20-35-27-22-15-9-11-17-24(22)36-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-31,34H,5-8,10,12-14,16,18-21H2,1-4H3,(H,35,36)/t26-,28+,29+,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467895 (CHEMBL4280262) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-29-28(35)26(36-30(29)38-31)21-32-19-13-7-5-3-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32,35H,3-8,10,12-14,16,18-21H2,1-2H3,(H,33,34)/t26-,28+,29-,30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467892 (CHEMBL4283717) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C29H43N3O4/c1-29(2)35-27-26(33)24(34-28(27)36-29)19-30-17-11-5-3-4-6-12-18-31-25-20-13-7-9-15-22(20)32-23-16-10-8-14-21(23)25/h7,9,13,15,24,26-28,30,33H,3-6,8,10-12,14,16-19H2,1-2H3,(H,31,32)/t24-,26+,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467898 (CHEMBL4282214) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467896 (CHEMBL4287068) Show SMILES [H][C@]12O[C@H](CNCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C27H39N3O4/c1-27(2)33-25-24(31)22(32-26(25)34-27)17-28-15-9-3-4-10-16-29-23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h5,7,11,13,22,24-26,28,31H,3-4,6,8-10,12,14-17H2,1-2H3,(H,29,30)/t22-,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467894 (CHEMBL4294287) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-28-27(34)25(35-29(28)37-30)20-31-18-12-6-4-3-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31,34H,3-7,9,11-13,15,17-20H2,1-2H3,(H,32,33)/t25-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467891 (CHEMBL4279148) Show SMILES [H][C@]12O[C@H](CNCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C28H41N3O4/c1-28(2)34-26-25(32)23(33-27(26)35-28)18-29-16-10-4-3-5-11-17-30-24-19-12-6-8-14-21(19)31-22-15-9-7-13-20(22)24/h6,8,12,14,23,25-27,29,32H,3-5,7,9-11,13,15-18H2,1-2H3,(H,30,31)/t23-,25+,26-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467892 (CHEMBL4283717) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C29H43N3O4/c1-29(2)35-27-26(33)24(34-28(27)36-29)19-30-17-11-5-3-4-6-12-18-31-25-20-13-7-9-15-22(20)32-23-16-10-8-14-21(23)25/h7,9,13,15,24,26-28,30,33H,3-6,8,10-12,14,16-19H2,1-2H3,(H,31,32)/t24-,26+,27-,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467898 (CHEMBL4282214) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467896 (CHEMBL4287068) Show SMILES [H][C@]12O[C@H](CNCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C27H39N3O4/c1-27(2)33-25-24(31)22(32-26(25)34-27)17-28-15-9-3-4-10-16-29-23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h5,7,11,13,22,24-26,28,31H,3-4,6,8-10,12,14-17H2,1-2H3,(H,29,30)/t22-,24+,25-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467894 (CHEMBL4294287) Show SMILES [H][C@]12O[C@H](CNCCCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-28-27(34)25(35-29(28)37-30)20-31-18-12-6-4-3-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31,34H,3-7,9,11-13,15,17-20H2,1-2H3,(H,32,33)/t25-,27+,28-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Mus musculus (Mouse))	BDBM50467897 (CHEMBL4287482) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C33H49N3O5/c1-32(2)38-28-26(37-31-30(29(28)39-32)40-33(3,4)41-31)21-34-19-13-7-5-6-8-14-20-35-27-22-15-9-11-17-24(22)36-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-31,34H,5-8,10,12-14,16,18-21H2,1-4H3,(H,35,36)/t26-,28+,29+,30-,31-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467890 (CHEMBL4290902) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-27-25(35-29(34-3)28(27)37-30)20-31-18-12-6-4-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31H,4-7,9,11-13,15,17-20H2,1-3H3,(H,32,33)/t25-,27-,28-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394563 (CHEMBL2160234) Show SMILES COc1cc(OC)cc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C38H41NO5/c1-39(27-28-15-8-7-9-16-28)21-12-5-4-6-13-22-43-31-18-14-17-29(23-31)38-36(34-19-10-11-20-35(34)44-38)37(40)30-24-32(41-2)26-33(25-30)42-3/h7-11,14-20,23-26H,4-6,12-13,21-22,27H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50467893 (CHEMBL4276832) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-28-26(36-30(35-3)29(28)38-31)21-32-19-13-7-5-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32H,4-8,10,12-14,16,18-21H2,1-3H3,(H,33,34)/t26-,28-,29-,30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467893 (CHEMBL4276832) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H47N3O4/c1-31(2)37-28-26(36-30(35-3)29(28)38-31)21-32-19-13-7-5-4-6-8-14-20-33-27-22-15-9-11-17-24(22)34-25-18-12-10-16-23(25)27/h9,11,15,17,26,28-30,32H,4-8,10,12-14,16,18-21H2,1-3H3,(H,33,34)/t26-,28-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467891 (CHEMBL4279148) Show SMILES [H][C@]12O[C@H](CNCCCCCCCNc3c4CCCCc4nc4ccccc34)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C28H41N3O4/c1-28(2)34-26-25(32)23(33-27(26)35-28)18-29-16-10-4-3-5-11-17-30-24-19-12-6-8-14-21(19)31-22-15-9-7-13-20(22)24/h6,8,12,14,23,25-27,29,32H,3-5,7,9-11,13,15-18H2,1-2H3,(H,30,31)/t23-,25+,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467890 (CHEMBL4290902) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CNCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C30H45N3O4/c1-30(2)36-27-25(35-29(34-3)28(27)37-30)20-31-18-12-6-4-5-7-13-19-32-26-21-14-8-10-16-23(21)33-24-17-11-9-15-22(24)26/h8,10,14,16,25,27-29,31H,4-7,9,11-13,15,17-20H2,1-3H3,(H,32,33)/t25-,27-,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394564 (CHEMBL2160227) Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H37NO3/c1-37(27-28-16-7-5-8-17-28)24-13-3-2-4-14-25-39-31-21-15-20-30(26-31)36-34(32-22-11-12-23-33(32)40-36)35(38)29-18-9-6-10-19-29/h5-12,15-23,26H,2-4,13-14,24-25,27H2,1H3	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	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394565 (CHEMBL2160226) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C39H42N2O5/c1-28-16-18-30(19-17-28)37(42)36-34-14-7-8-15-35(34)46-38(36)31-20-22-32(23-21-31)44-25-10-6-4-5-9-24-41(3)27-29-12-11-13-33(26-29)45-39(43)40-2/h7-8,11-23,26H,4-6,9-10,24-25,27H2,1-3H3,(H,40,43)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394566 (CHEMBL2160228) Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-15-13-18-30(25-28)36(39)35-33-21-9-10-22-34(33)41-37(35)31-19-14-20-32(26-31)40-24-12-5-3-4-11-23-38(2)27-29-16-7-6-8-17-29/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394565 (CHEMBL2160226) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C39H42N2O5/c1-28-16-18-30(19-17-28)37(42)36-34-14-7-8-15-35(34)46-38(36)31-20-22-32(23-21-31)44-25-10-6-4-5-9-24-41(3)27-29-12-11-13-33(26-29)45-39(43)40-2/h7-8,11-23,26H,4-6,9-10,24-25,27H2,1-3H3,(H,40,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394571 (CHEMBL2160231) Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-15-7-6-8-16-28)23-11-4-3-5-12-24-41-32-20-14-18-30(26-32)37-35(33-21-9-10-22-34(33)42-37)36(39)29-17-13-19-31(25-29)40-2/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair

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