Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50037498   

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 3A/3B (Rattus norvegicus-RAT)	BDBM50166996 (2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...) Show SMILES CCCc1c(nc2ccccc2c1C(=O)OCC)N1CCN(C)CC1 Show InChI InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167002 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCCN(CCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167013 (4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-c...) Show SMILES CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C)CC1 Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)14-7-5-6-8-15(14)19-17(16)21-11-9-20(3)10-12-21/h5-8H,4,9-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167015 (3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...) Show SMILES CCOC(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50063263 (6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12 Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167011 (4-(4-Methyl-piperazin-1-yl)-2,3-dihydro-1H-cyclope...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCc12 Show InChI InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167014 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCN(CC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C20H28N4O/c1-5-23(6-2)20(25)18-15(3)19(24-13-11-22(4)12-14-24)21-17-10-8-7-9-16(17)18/h7-10H,5-6,11-14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167004 (2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...) Show SMILES CN(Cc1ccccc1)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H26N4O/c1-25-12-14-27(15-13-25)22-16-20(19-10-6-7-11-21(19)24-22)23(28)26(2)17-18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167003 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166997 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN(CC#C)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167016 (3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...) Show SMILES CCN(CC)C(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C21H30N4O/c1-5-16-19(21(26)24(6-2)7-3)17-10-8-9-11-18(17)22-20(16)25-14-12-23(4)13-15-25/h8-11H,5-7,12-15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167005 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166991 (3-Methyl-2-piperazin-1-yl-quinoline-4-carboxylic a...) Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)15-12(2)16(20-10-8-18-9-11-20)19-14-7-5-4-6-13(14)15/h4-7,18H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167000 (2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...) Show SMILES CCCN(CCC)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166981 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCCCN(CCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H36N4O/c1-5-7-13-28(14-8-6-2)24(29)22-19(3)23(27-17-15-26(4)16-18-27)25-21-12-10-9-11-20(21)22/h9-12H,5-8,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167001 (CHEMBL192794 | [3-Methyl-2-(4-methyl-piperazin-1-y...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)c2ccccc2)c1C Show InChI InChI=1S/C22H23N3O/c1-16-20(21(26)17-8-4-3-5-9-17)18-10-6-7-11-19(18)23-22(16)25-14-12-24(2)13-15-25/h3-11H,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166993 (2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...) Show SMILES CCOC(=O)c1cc(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)14-12-16(20-10-8-19(2)9-11-20)18-15-7-5-4-6-13(14)15/h4-7,12H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167009 (2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...) Show SMILES CCCc1c(nc2ccccc2c1C(=O)N(CC)CC)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O/c1-5-10-18-20(22(27)25(6-2)7-3)17-11-8-9-12-19(17)23-21(18)26-15-13-24(4)14-16-26/h8-9,11-12H,5-7,10,13-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166985 (3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...) Show SMILES CCCN(CCC)C(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H34N4O/c1-5-12-27(13-6-2)23(28)21-18(7-3)22(26-16-14-25(4)15-17-26)24-20-11-9-8-10-19(20)21/h8-11H,5-7,12-17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166989 (2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...) Show SMILES CCCN(CCC)C(=O)c1c(CCC)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H36N4O/c1-5-10-20-22(24(29)28(13-6-2)14-7-3)19-11-8-9-12-21(19)25-23(20)27-17-15-26(4)16-18-27/h8-9,11-12H,5-7,10,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166998 (2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...) Show SMILES CCN(CC)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C19H26N4O/c1-4-22(5-2)19(24)16-14-18(23-12-10-21(3)11-13-23)20-17-9-7-6-8-15(16)17/h6-9,14H,4-5,10-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167010 (CHEMBL193460 | [3-Methyl-2-(4-methyl-piperazin-1-y...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)N2CCCC2)c1C Show InChI InChI=1S/C20H26N4O/c1-15-18(20(25)24-9-5-6-10-24)16-7-3-4-8-17(16)21-19(15)23-13-11-22(2)12-14-23/h3-4,7-8H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166994 (2-Methyl-4-(4-methyl-piperazin-1-yl)-2,3-dihydro-p...) Show SMILES CN1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1 Show InChI InChI=1S/C17H20N4O/c1-19-7-9-21(10-8-19)16-13-11-20(2)17(22)15(13)12-5-3-4-6-14(12)18-16/h3-6H,7-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166990 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CC(C)N(C(C)C)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O/c1-15(2)26(16(3)4)22(27)20-17(5)21(25-13-11-24(6)12-14-25)23-19-10-8-7-9-18(19)20/h7-10,15-16H,11-14H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167007 (4-(4-Methyl-piperazin-1-yl)-3H-furo[3,4-c]quinolin...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2C(=O)OCc12 Show InChI InChI=1S/C16H17N3O2/c1-18-6-8-19(9-7-18)15-12-10-21-16(20)14(12)11-4-2-3-5-13(11)17-15/h2-5H,6-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167012 (CHEMBL364895 | [4-Hydroxymethyl-2-(4-methyl-pipera...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(CO)c1CO Show InChI InChI=1S/C16H21N3O2/c1-18-6-8-19(9-7-18)16-14(11-21)13(10-20)12-4-2-3-5-15(12)17-16/h2-5,20-21H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166982 (2-Ethyl-4-(4-methyl-piperazin-1-yl)-2,3-dihydro-py...) Show SMILES CCN1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1 Show InChI InChI=1S/C18H22N4O/c1-3-21-12-14-16(18(21)23)13-6-4-5-7-15(13)19-17(14)22-10-8-20(2)9-11-22/h4-7H,3,8-12H2,1-2H3	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
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166986 (4-(4-Methyl-piperazin-1-yl)-2-propyl-2,3-dihydro-p...) Show SMILES CCCN1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1 Show InChI InChI=1S/C19H24N4O/c1-3-8-23-13-15-17(19(23)24)14-6-4-5-7-16(14)20-18(15)22-11-9-21(2)10-12-22/h4-7H,3,8-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166983 (2-sec-Butyl-4-(4-methyl-piperazin-1-yl)-2,3-dihydr...) Show SMILES CCC(C)N1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1 Show InChI InChI=1S/C20H26N4O/c1-4-14(2)24-13-16-18(20(24)25)15-7-5-6-8-17(15)21-19(16)23-11-9-22(3)10-12-23/h5-8,14H,4,9-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166984 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C36H46N6O/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166987 (2-Benzyl-4-(4-methyl-piperazin-1-yl)-2,3-dihydro-p...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2C(=O)N(Cc3ccccc3)Cc12 Show InChI InChI=1S/C23H24N4O/c1-25-11-13-26(14-12-25)22-19-16-27(15-17-7-3-2-4-8-17)23(28)21(19)18-9-5-6-10-20(18)24-22/h2-10H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166999 (3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...) Show SMILES CCc1c(nc2ccccc2c1C(=O)N(C)Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H30N4O/c1-4-20-23(25(30)28(3)18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)26-24(20)29-16-14-27(2)15-17-29/h5-13H,4,14-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167008 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN(C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClN4O/c1-16-21(23(29)27(3)18-10-8-17(24)9-11-18)19-6-4-5-7-20(19)25-22(16)28-14-12-26(2)13-15-28/h4-11H,12-15H2,1-3H3	PDB UniProtKB/SwissProt 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£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166988 (2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...) Show SMILES CCCc1c(nc2ccccc2c1C(=O)N(C)Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H32N4O/c1-4-10-22-24(26(31)29(3)19-20-11-6-5-7-12-20)21-13-8-9-14-23(21)27-25(22)30-17-15-28(2)16-18-30/h5-9,11-14H,4,10,15-19H2,1-3H3	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
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50166992 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCCCCN(CCCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C26H40N4O/c1-5-7-11-15-30(16-12-8-6-2)26(31)24-21(3)25(29-19-17-28(4)18-20-29)27-23-14-10-9-13-22(23)24/h9-10,13-14H,5-8,11-12,15-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50167006 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCCCCCN(CCCCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C28H44N4O/c1-5-7-9-13-17-32(18-14-10-8-6-2)28(33)26-23(3)27(31-21-19-30(4)20-22-31)29-25-16-12-11-15-24(25)26/h11-12,15-16H,5-10,13-14,17-22H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50166995 (2-Chloro-3-methyl-quinoline-4-carboxylic acid [7-(...) Show SMILES Cc1c(Cl)nc2ccccc2c1C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35ClN4O/c1-21-28(22-13-5-8-16-25(22)36-30(21)32)31(37)34-20-12-4-2-3-11-19-33-29-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)29/h5-6,8-9,13-14,16-17H,2-4,7,10-12,15,18-20H2,1H3,(H,33,35)(H,34,37)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50166984 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C36H46N6O/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50166995 (2-Chloro-3-methyl-quinoline-4-carboxylic acid [7-(...) Show SMILES Cc1c(Cl)nc2ccccc2c1C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35ClN4O/c1-21-28(22-13-5-8-16-25(22)36-30(21)32)31(37)34-20-12-4-2-3-11-19-33-29-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)29/h5-6,8-9,13-14,16-17H,2-4,7,10-12,15,18-20H2,1H3,(H,33,35)(H,34,37)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50166984 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C36H46N6O/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50167003 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50167005 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50167005 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against human acetylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50167003 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase				J Med Chem 48: 3564-75 (2005) Article DOI: 10.1021/jm0493461 BindingDB Entry DOI: 10.7270/Q2HH6KTH
					More data for this Ligand-Target Pair