Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'bouet' and Initial = 'v'   

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
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079375 (CHEMBL3417008 | US9663465, 20) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106249 (CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...) Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HeLa cells after 60 mins by scintillation spectrometry				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34141 (CHEMBL76237 | MS-245) Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectromet...				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079377 (CHEMBL3417007) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-7-9-25(10-8-15)14-16-5-3-2-4-6-16/h11-12,15-16H,2-10,13-14,23H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079367 (CHEMBL3416998) Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1 Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106250 (CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...) Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HeLa cells after 60 mins by scintillation spectrometry				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079365 (CHEMBL3416996 | US9663465, 8) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079366 (CHEMBL3416997 | US9663465, 12) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079369 (CHEMBL3417000 | US9663465, 11) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-16-5-3-4-6-18(16)15-26-11-9-17(10-12-26)7-8-22(27)19-13-20(24)21(25)14-23(19)28-2/h13-14,16-18H,3-12,15,25H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21354 (2-{1-[(5-chlorothiophene-2-)sulfonyl]-1H-indol-3-y...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079368 (CHEMBL3416999 | US9663465, 16) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079364 (CHEMBL3416995 | US9663465, 7) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H29ClN2O2/c1-25-20-12-18(22)17(21)11-16(20)19(24)6-5-14-7-9-23(10-8-14)13-15-3-2-4-15/h11-12,14-15H,2-10,13,22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM84950 (CAS_183782 | NSC_183782 | RS 67333) Show SMILES CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21366 ((2-{3-[(3-fluorobenzene)sulfonyl]-1H-indol-1-yl}et...) Show SMILES CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of radioligand from human 5-HT6 receptor expressed in HeLa cells by scintillation counter				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079370 (CHEMBL3417001) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079363 (CHEMBL3414597 | US9663465, 6) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C19H27ClN2O2/c1-24-19-11-17(21)16(20)10-15(19)18(23)5-4-13-6-8-22(9-7-13)12-14-2-3-14/h10-11,13-14H,2-9,12,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34142 (2-ethyl-5-methoxy-N,N-dimethyltryptamine | CHEMBL2...) Show SMILES CCc1[nH]c2ccc(OC)cc2c1CCN(C)C Show InChI InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectromet...				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079371 (CHEMBL3417002) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-12-19(23)18(22)11-17(21)20(26)5-4-15-6-9-25(10-7-15)14-16-3-2-8-24-13-16/h2-3,8,11-13,15H,4-7,9-10,14,23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50085970 (CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...) Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectromet...				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079372 (CHEMBL3417003) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h4-5,8-9,12-13,15H,2-3,6-7,10-11,14,23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (RAT)	BDBM50171234 (CHEMBL365751 | [2-(5-Chloro-2-methyl-1H-indol-3-yl...) Show SMILES CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H] lysergic acid diethylamide from rat 5-HT6 receptor transfected in HEK293 cells after 60 mins by scintillation counter				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079376 (CHEMBL3417005) Show SMILES CO\N=C(/CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H36ClN3O2/c1-28-23-15-21(25)20(24)14-19(23)22(26-29-2)9-8-17-10-12-27(13-11-17)16-18-6-4-3-5-7-18/h14-15,17-18H,3-13,16,25H2,1-2H3/b26-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079374 (CHEMBL3417006) Show SMILES COc1cc(N)c(Cl)cc1C(O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H35ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,21,26H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50079373 (CHEMBL3417004) Show SMILES COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O Show InChI InChI=1S/C22H34ClN3O2/c1-28-22-14-20(24)19(23)13-18(22)21(25-27)8-7-16-9-11-26(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,27H,2-12,15,24H2,1H3/b25-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50171234 (CHEMBL365751 | [2-(5-Chloro-2-methyl-1H-indol-3-yl...) Show SMILES CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to 5-HT2B receptor (unknown origin)				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50171234 (CHEMBL365751 | [2-(5-Chloro-2-methyl-1H-indol-3-yl...) Show SMILES CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to 5-HT7 receptor (unknown origin)				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50171234 (CHEMBL365751 | [2-(5-Chloro-2-methyl-1H-indol-3-yl...) Show SMILES CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human recombinant alpha2 adrenergic receptor				J Med Chem 58: 7901-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00179 BindingDB Entry DOI: 10.7270/Q2M90BGQ
					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	6	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079370 (CHEMBL3417001) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079373 (CHEMBL3417004) Show SMILES COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O Show InChI InChI=1S/C22H34ClN3O2/c1-28-22-14-20(24)19(23)13-18(22)21(25-27)8-7-16-9-11-26(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,27H,2-12,15,24H2,1H3/b25-21+	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	24	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079371 (CHEMBL3417002) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-12-19(23)18(22)11-17(21)20(26)5-4-15-6-9-25(10-7-15)14-16-3-2-8-24-13-16/h2-3,8,11-13,15H,4-7,9-10,14,23H2,1H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079366 (CHEMBL3416997 | US9663465, 12) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3	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	57	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079365 (CHEMBL3416996 | US9663465, 8) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3	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	69	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079367 (CHEMBL3416998) Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1 Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3	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	118	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079372 (CHEMBL3417003) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h4-5,8-9,12-13,15H,2-3,6-7,10-11,14,23H2,1H3	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	121	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079368 (CHEMBL3416999 | US9663465, 16) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3	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	222	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079369 (CHEMBL3417000 | US9663465, 11) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-16-5-3-4-6-18(16)15-26-11-9-17(10-12-26)7-8-22(27)19-13-20(24)21(25)14-23(19)28-2/h13-14,16-18H,3-12,15,25H2,1-2H3	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	321	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM84950 (CAS_183782 | NSC_183782 | RS 67333) Show SMILES CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079364 (CHEMBL3416995 | US9663465, 7) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H29ClN2O2/c1-25-20-12-18(22)17(21)11-16(20)19(24)6-5-14-7-9-23(10-8-14)13-15-3-2-4-15/h11-12,14-15H,2-10,13,22H2,1H3	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	577	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079363 (CHEMBL3414597 | US9663465, 6) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C19H27ClN2O2/c1-24-19-11-17(21)16(20)10-15(19)18(23)5-4-13-6-8-22(9-7-13)12-14-2-3-14/h10-11,13-14H,2-9,12,21H2,1H3	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	937	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079374 (CHEMBL3417006) Show SMILES COc1cc(N)c(Cl)cc1C(O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H35ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,21,26H,2-12,15,24H2,1H3	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	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50079370 (CHEMBL3417001) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079375 (CHEMBL3417008 | US9663465, 20) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3	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	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50079374 (CHEMBL3417006) Show SMILES COc1cc(N)c(Cl)cc1C(O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H35ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,21,26H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50079366 (CHEMBL3416997 | US9663465, 12) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 62 total )  |  Next  |  Last  >>

Jump to: