Compile Data Set for Download or QSAR

Found 149 hits Enz. Inhib. hit(s) with all data for entry = 50003263   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468698 (CHEMBL4277548) Show SMILES [O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-21-15-23(32-22-7-6-19(27(30)31)14-20(21)22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468689 (CHEMBL4292477) Show SMILES Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c25-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16,25H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468682 (CHEMBL4284165) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c28-20-8-9-23-21(15-20)22(29)16-24(31-23)25(30)26-12-4-7-18-10-13-27(14-11-18)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,15-16,18,28H,4,7,10-14,17H2,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468700 (CHEMBL4287548) Show SMILES COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-22-21(15-20)24(29)16-23(27-22)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468699 (CHEMBL4284495) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29NO6/c1-30-23-14-20-21(28)15-25(33-22(20)16-24(23)31-2)26(29)32-13-10-18-8-11-27(12-9-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468682 (CHEMBL4284165) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c28-20-8-9-23-21(15-20)22(29)16-24(31-23)25(30)26-12-4-7-18-10-13-27(14-11-18)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,15-16,18,28H,4,7,10-14,17H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468698 (CHEMBL4277548) Show SMILES [O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-21-15-23(32-22-7-6-19(27(30)31)14-20(21)22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001028 ((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...) Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468687 (CHEMBL4294783) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O5/c1-32-24-15-21-22(30)16-26(34-23(21)17-25(24)33-2)27(31)28-12-6-9-19-10-13-29(14-11-19)18-20-7-4-3-5-8-20/h3-5,7-8,15-17,19H,6,9-14,18H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468697 (CHEMBL4280725) Show SMILES Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O5/c27-19-13-23(31-22-14-21(29)20(28)12-18(19)22)24(30)25-9-6-16-7-10-26(11-8-16)15-17-4-2-1-3-5-17/h1-5,12-14,16,28-29H,6-11,15H2,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468685 (CHEMBL4293801) Show SMILES COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H31N3O4/c1-32-24-14-20-21(16-25(24)33-2)28-22(15-23(20)30)26(31)27-11-8-18-9-12-29(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,31)(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468681 (CHEMBL4287970) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O5/c1-31-23-14-20-21(29)15-25(33-22(20)16-24(23)32-2)26(30)27-11-8-18-9-12-28(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468681 (CHEMBL4287970) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O5/c1-31-23-14-20-21(29)15-25(33-22(20)16-24(23)32-2)26(30)27-11-8-18-9-12-28(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468680 (CHEMBL4291296) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O4/c27-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50468679 (CHEMBL4285912) Show SMILES Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c28-21-8-4-7-19-22(29)15-20(26-23(19)21)24(30)25-12-9-17-10-13-27(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17,28H,9-14,16H2,(H,25,30)(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468685 (CHEMBL4293801) Show SMILES COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H31N3O4/c1-32-24-14-20-21(16-25(24)33-2)28-22(15-23(20)30)26(31)27-11-8-18-9-12-29(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468689 (CHEMBL4292477) Show SMILES Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c25-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16,25H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468681 (CHEMBL4287970) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O5/c1-31-23-14-20-21(29)15-25(33-22(20)16-24(23)32-2)26(30)27-11-8-18-9-12-28(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468697 (CHEMBL4280725) Show SMILES Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O5/c27-19-13-23(31-22-14-21(29)20(28)12-18(19)22)24(30)25-9-6-16-7-10-26(11-8-16)15-17-4-2-1-3-5-17/h1-5,12-14,16,28-29H,6-11,15H2,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468698 (CHEMBL4277548) Show SMILES [O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-21-15-23(32-22-7-6-19(27(30)31)14-20(21)22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468679 (CHEMBL4285912) Show SMILES Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c28-21-8-4-7-19-22(29)15-20(26-23(19)21)24(30)25-12-9-17-10-13-27(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17,28H,9-14,16H2,(H,25,30)(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468682 (CHEMBL4284165) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c28-20-8-9-23-21(15-20)22(29)16-24(31-23)25(30)26-12-4-7-18-10-13-27(14-11-18)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,15-16,18,28H,4,7,10-14,17H2,(H,26,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468680 (CHEMBL4291296) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O4/c27-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468689 (CHEMBL4292477) Show SMILES Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c25-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16,25H2,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468700 (CHEMBL4287548) Show SMILES COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-22-21(15-20)24(29)16-23(27-22)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468685 (CHEMBL4293801) Show SMILES COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H31N3O4/c1-32-24-14-20-21(16-25(24)33-2)28-22(15-23(20)30)26(31)27-11-8-18-9-12-29(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,31)(H,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468698 (CHEMBL4277548) Show SMILES [O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-21-15-23(32-22-7-6-19(27(30)31)14-20(21)22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468682 (CHEMBL4284165) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c28-20-8-9-23-21(15-20)22(29)16-24(31-23)25(30)26-12-4-7-18-10-13-27(14-11-18)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,15-16,18,28H,4,7,10-14,17H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468690 (CHEMBL4285779) Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c1-30-20-7-8-21-22(28)16-24(31-23(21)15-20)25(29)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468689 (CHEMBL4292477) Show SMILES Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c25-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16,25H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468681 (CHEMBL4287970) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O5/c1-31-23-14-20-21(29)15-25(33-22(20)16-24(23)32-2)26(30)27-11-8-18-9-12-28(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468699 (CHEMBL4284495) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29NO6/c1-30-23-14-20-21(28)15-25(33-22(20)16-24(23)31-2)26(29)32-13-10-18-8-11-27(12-9-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468680 (CHEMBL4291296) Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O4/c27-19-6-7-22-20(14-19)21(28)15-23(30-22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured aft...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468687 (CHEMBL4294783) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O5/c1-32-24-15-21-22(30)16-26(34-23(21)17-25(24)33-2)27(31)28-12-6-9-19-10-13-29(14-11-19)18-20-7-4-3-5-8-20/h3-5,7-8,15-17,19H,6,9-14,18H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured aft...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468685 (CHEMBL4293801) Show SMILES COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H31N3O4/c1-32-24-14-20-21(16-25(24)33-2)28-22(15-23(20)30)26(31)27-11-8-18-9-12-29(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468691 (CHEMBL4283450) Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N2O4/c1-30-20-7-8-23-21(15-20)22(28)16-24(31-23)25(29)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468686 (CHEMBL4294609) Show SMILES Oc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27N3O3/c28-19-6-7-21-20(14-19)23(29)15-22(26-21)24(30)25-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,28H,8-13,16H2,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468694 (CHEMBL4285601) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H27NO6/c1-29-22-12-19-20(27)13-24(32-21(19)14-23(22)30-2)25(28)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468705 (CHEMBL4284591) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O5/c1-31-20-14-22(32-2)25-21(29)16-24(33-23(25)15-20)26(30)27-11-8-18-9-12-28(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468684 (CHEMBL4291372) Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N2O4/c1-31-21-9-10-24-22(16-21)23(29)17-25(32-24)26(30)27-13-5-8-19-11-14-28(15-12-19)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16-17,19H,5,8,11-15,18H2,1H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair

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