Compile Data Set for Download or QSAR

Found 2104 hits with Last Name = 'alcaro' and Initial = 's'   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50106422 (CHEMBL3601892) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2				Bioorg Med Chem Lett 25: 3281-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.076 BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
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
Cannabinoid receptor 2 (MOUSE)	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UOS of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 21: 7074-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.017 BindingDB Entry DOI: 10.7270/Q25D8VTF
					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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50106422 (CHEMBL3601892) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12				Bioorg Med Chem Lett 25: 3281-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.076 BindingDB Entry DOI: 10.7270/Q2RB76CZ
					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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Non-competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50476106 (CHEMBL385117) Show SMILES Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N2S/c1-13-7-9-14(10-8-13)11-18-17-19-16(12-20-17)15-5-3-2-4-6-15/h2-12H,1H3/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOB				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					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
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50475875 (CHEMBL212501) Show SMILES O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C24H20N2O6/c27-21(17-13-15-7-1-3-9-19(15)31-23(17)29)25-11-5-6-12-26-22(28)18-14-16-8-2-4-10-20(16)32-24(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondrial MAOA				Bioorg Med Chem Lett 16: 4135-40 (2006) Article DOI: 10.1016/j.bmcl.2006.04.026 BindingDB Entry DOI: 10.7270/Q2Z03BXP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM11014 ((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...) Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8| Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita degli Studi di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 48: 7113-22 (2005) Article DOI: 10.1021/jm040903t BindingDB Entry DOI: 10.7270/Q2JH3JDW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198054 ((3-biphenyl-4-yl-butyl)-dimethyl-amine | CHEMBL224...) Show SMILES CC(CCN(C)C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H23N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem 15: 771-83 (2006) Article DOI: 10.1016/j.bmc.2006.10.048 BindingDB Entry DOI: 10.7270/Q29023F7
					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
Mu-type opioid receptor (MOUSE)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting				J Nat Prod 78: 69-76 (2015) Article DOI: 10.1021/np500671v BindingDB Entry DOI: 10.7270/Q2Q52R9R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM23556 (3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophe...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal. Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...				J Med Chem 60: 7206-7212 (2017) Article DOI: 10.1021/acs.jmedchem.7b00918 BindingDB Entry DOI: 10.7270/Q23B62KQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UOS of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 21: 7074-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.017 BindingDB Entry DOI: 10.7270/Q25D8VTF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50476100 (CHEMBL220548) Show SMILES Cc1csc(N\N=C\c2ccccc2)n1 Show InChI InChI=1S/C11H11N3S/c1-9-8-15-11(13-9)14-12-7-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit?? degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of bovine brain mitochondria MAOB				J Med Chem 50: 707-12 (2007) Article DOI: 10.1021/jm060869d BindingDB Entry DOI: 10.7270/Q23J3GQD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198061 ((E)-N,N-dimethyl-3-(biphen-4-yl)but-2-en-1-ylamine...) Show SMILES CN(C)C\C=C(/C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H21N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b15-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem 15: 771-83 (2006) Article DOI: 10.1016/j.bmc.2006.10.048 BindingDB Entry DOI: 10.7270/Q29023F7
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM11004 (1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S |t:8| Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita degli Studi di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 48: 7113-22 (2005) Article DOI: 10.1021/jm040903t BindingDB Entry DOI: 10.7270/Q2JH3JDW
					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)	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50106422 (CHEMBL3601892) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem Lett 25: 3281-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.076 BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198064 (CHEMBL224855 | N,N-dimethyl-3-(naphthalen-2-yl)but...) Show SMILES CC(CCN(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H21N/c1-13(10-11-17(2)3)15-9-8-14-6-4-5-7-16(14)12-15/h4-9,12-13H,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem 15: 771-83 (2006) Article DOI: 10.1016/j.bmc.2006.10.048 BindingDB Entry DOI: 10.7270/Q29023F7
					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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50198055 ((R/S)-3-(6-Methoxynaphthalen-2-yl)-N,N-dimethylbut...) Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)C Show InChI InChI=1S/C17H23NO/c1-13(9-10-18(2)3)14-5-6-16-12-17(19-4)8-7-15(16)11-14/h5-8,11-13H,9-10H2,1-4H3	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
Università di Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem 15: 771-83 (2006) Article DOI: 10.1016/j.bmc.2006.10.048 BindingDB Entry DOI: 10.7270/Q29023F7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367288 (CHEMBL4175989) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C26H19ClN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM11015 ((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...) Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8| Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.70	-51.0	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita degli Studi di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 48: 7113-22 (2005) Article DOI: 10.1021/jm040903t BindingDB Entry DOI: 10.7270/Q2JH3JDW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50258188 (CHEMBL4060916) Show SMILES Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-13(7-10)16(20)14(9-22-15)17(21)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal. Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...				J Med Chem 60: 7206-7212 (2017) Article DOI: 10.1021/acs.jmedchem.7b00918 BindingDB Entry DOI: 10.7270/Q23B62KQ
					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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367330 (CHEMBL4168142) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)Nc4ccc(cc4)S(N)(=O)=O)c(C)c3cc12 Show InChI InChI=1S/C27H22N2O6S/c1-15-3-5-17(6-4-15)23-14-34-24-13-25-20(11-22(23)24)16(2)21(27(31)35-25)12-26(30)29-18-7-9-19(10-8-18)36(28,32)33/h3-11,13-14H,12H2,1-2H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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

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