Compile Data Set for Download or QSAR

Found 540 hits with Last Name = 'pittalà' 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 1A (Rattus norvegicus (rat))	BDBM50262788 (2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-26-21-11-5-3-9-19(21)25-15-13-24(14-16-25)12-6-7-17-28-22-23-18-8-2-4-10-20(18)27-22/h2-5,8-11H,6-7,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50143697 (8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1A receptor				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262744 (2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3n2C)CC1 Show InChI InChI=1S/C22H28N4OS/c1-24-19-9-4-3-8-18(19)23-22(24)28-17-7-12-25-13-15-26(16-14-25)20-10-5-6-11-21(20)27-2/h3-6,8-11H,7,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262787 (2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C22H27N3OS2/c1-26-20-10-4-3-9-19(20)25-15-13-24(14-16-25)12-6-7-17-27-22-23-18-8-2-5-11-21(18)28-22/h2-5,8-11H,6-7,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50263290 (2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C21H25N3OS2/c1-25-19-9-4-3-8-18(19)24-14-12-23(13-15-24)11-6-16-26-21-22-17-7-2-5-10-20(17)27-21/h2-5,7-10H,6,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to adrenergic Alpha-1D receptor				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50418765 (CHEMBL1796046) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262790 (2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262578 (2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C21H25N3O2S/c1-25-20-10-5-3-8-18(20)24-14-12-23(13-15-24)11-6-16-27-21-22-17-7-2-4-9-19(17)26-21/h2-5,7-10H,6,11-16H2,1H3	PDB KEGG 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262582 (2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]...) Show SMILES C(CSc1nc2ccccc2s1)CN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H22N4S2/c1-2-7-17-16(6-1)21-19(25-17)24-15-5-10-22-11-13-23(14-12-22)18-8-3-4-9-20-18/h1-4,6-9H,5,10-15H2	PDB KEGG 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262746 (5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1 Show InChI InChI=1S/C21H24ClN3O2S/c1-26-20-6-3-2-5-18(20)25-12-10-24(11-13-25)9-4-14-28-21-23-17-15-16(22)7-8-19(17)27-21/h2-3,5-8,15H,4,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50263289 (2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C21H26N4OS/c1-26-20-10-5-4-9-19(20)25-14-12-24(13-15-25)11-6-16-27-21-22-17-7-2-3-8-18(17)23-21/h2-5,7-10H,6,11-16H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262745 (5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3s2)CC1 Show InChI InChI=1S/C21H24ClN3OS2/c1-26-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-27-21-23-17-15-16(22)7-8-20(17)28-21/h2-3,5-8,15H,4,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50026917 (8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to adrenergic Alpha-1D receptor				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262790 (2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTP...				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262789 (2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C24H31N3OS2/c1-28-22-12-6-5-11-21(22)27-17-15-26(16-18-27)14-8-2-3-9-19-29-24-25-20-10-4-7-13-23(20)30-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262639 (2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]...) Show SMILES C(CSc1nc2ccccc2o1)CN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H22N4OS/c1-2-7-17-16(6-1)21-19(24-17)25-15-5-10-22-11-13-23(14-12-22)18-8-3-4-9-20-18/h1-4,6-9H,5,10-15H2	PDB KEGG 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50263290 (2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...) Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C21H25N3OS2/c1-25-19-9-4-3-8-18(19)24-14-12-23(13-15-24)11-6-16-26-21-22-17-7-2-5-10-20(17)27-21/h2-5,7-10H,6,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTP...				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418752 (CHEMBL1796033) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)19-22(20-26(29)31)21-9-3-2-4-10-21/h2-6,9-12,22H,7-8,13-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to adrenergic Alpha-1B receptor				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1 Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]spiroperidol binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50418752 (CHEMBL1796033) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)19-22(20-26(29)31)21-9-3-2-4-10-21/h2-6,9-12,22H,7-8,13-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50164345 (6-(4-Methoxy-phenyl)-3-{3-[4-(2-methoxy-phenyl)-pi...) Show SMILES COc1ccc(cc1)-c1cc2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3OC)c(=O)c2[nH]1 Show InChI InChI=1S/C27H31N5O4/c1-35-20-10-8-19(9-11-20)21-18-22-25(28-21)26(33)32(27(34)29-22)13-5-12-30-14-16-31(17-15-30)23-6-3-4-7-24(23)36-2/h3-4,6-11,18,28H,5,12-17H2,1-2H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum				J Med Chem 48: 2420-31 (2005) Article DOI: 10.1021/jm040870h BindingDB Entry DOI: 10.7270/Q2377872
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262742 (2-[[3-[4-(Pyrimidin-2-yl)-1-piperazinyl]propyl]thi...) Show SMILES C(CSc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H21N5S2/c1-2-6-16-15(5-1)21-18(25-16)24-14-4-9-22-10-12-23(13-11-22)17-19-7-3-8-20-17/h1-3,5-8H,4,9-14H2	PDB KEGG 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
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418752 (CHEMBL1796033) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)19-22(20-26(29)31)21-9-3-2-4-10-21/h2-6,9-12,22H,7-8,13-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phos...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50164355 (6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum				J Med Chem 48: 2420-31 (2005) Article DOI: 10.1021/jm040870h BindingDB Entry DOI: 10.7270/Q2377872
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50418752 (CHEMBL1796033) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)19-22(20-26(29)31)21-9-3-2-4-10-21/h2-6,9-12,22H,7-8,13-20H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity against human cloned adrenergic Alpha-1B receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.				J Med Chem 43: 2992-3004 (2000) BindingDB Entry DOI: 10.7270/Q2862H5C
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50418769 (CHEMBL1796050) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1 Show InChI InChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50091002 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:38:37:47.41.40:32.34.33| Show InChI InChI=1S/C44H66N6O4/c1-6-7-17-39(45)46-21-13-8-9-14-22-47-41(53)37(24-30(2)3)49-40(52)28-48-42(54)44(33-15-11-10-12-16-33)27-34(44)29-50-23-20-43(5)31(4)38(50)25-32-18-19-35(51)26-36(32)43/h10-12,15-16,18-19,26,30-31,34,37-38,51H,6-9,13-14,17,20-25,27-29H2,1-5H3,(H2,45,46)(H,47,53)(H,48,54)(H,49,52)/t31?,34?,37?,38?,43-,44+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.				J Med Chem 43: 2992-3004 (2000) BindingDB Entry DOI: 10.7270/Q2862H5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50005127 (1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064196 ((2S,6R,11S)-6,11-Dimethyl-3-[2-(methyl-phenyl-amin...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064195 ((2S,6R,11S)-6,11-Dimethyl-3-(2-phenylamino-ethyl)-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H28N2O/c1-16-21-14-17-8-9-19(25)15-20(17)22(16,2)10-12-24(21)13-11-23-18-6-4-3-5-7-18/h3-9,15-16,21,23,25H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262788 (2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...) Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-26-21-11-5-3-9-19(21)25-15-13-24(14-16-25)12-6-7-17-28-22-23-18-8-2-4-10-20(18)27-22/h2-5,8-11H,6-7,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Università di Catania Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTP...				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50090990 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:37:36:46.40.39:31.33.32| Show InChI InChI=1S/C43H64N6O4/c1-6-7-16-38(44)45-20-12-9-13-21-46-40(52)36(23-29(2)3)48-39(51)27-47-41(53)43(32-14-10-8-11-15-32)26-33(43)28-49-22-19-42(5)30(4)37(49)24-31-17-18-34(50)25-35(31)42/h8,10-11,14-15,17-18,25,29-30,33,36-37,50H,6-7,9,12-13,16,19-24,26-28H2,1-5H3,(H2,44,45)(H,46,52)(H,47,53)(H,48,51)/t30?,33?,36?,37?,42-,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.				J Med Chem 43: 2992-3004 (2000) BindingDB Entry DOI: 10.7270/Q2862H5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262832 (3-amino-6-ethyl-2-(3-(4-(2-methoxyphenyl)piperazin...) Show SMILES CCC1SC2N=C(SCCCN3CCN(CC3)c3ccccc3OC)N(N)C(=O)C2=C1 |c:32,t:5| Show InChI InChI=1S/C22H31N5O2S2/c1-3-16-15-17-20(31-16)24-22(27(23)21(17)28)30-14-6-9-25-10-12-26(13-11-25)18-7-4-5-8-19(18)29-2/h4-5,7-8,15-16,20H,3,6,9-14,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTP...				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064191 ((2S,6R,11S)-6,11-Dimethyl-3-(2-pyrrolidin-1-yl-eth...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C20H30N2O/c1-15-19-13-16-5-6-17(23)14-18(16)20(15,2)7-10-22(19)12-11-21-8-3-4-9-21/h5-6,14-15,19,23H,3-4,7-13H2,1-2H3/t15-,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50418765 (CHEMBL1796046) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity against human cloned adrenergic Alpha-1B receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50262580 (2-[[3-[4-(2-Nitrophenyl)-1-piperazinyl]propyl]thio...) Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C20H22N4O2S2/c25-24(26)18-8-3-2-7-17(18)23-13-11-22(12-14-23)10-5-15-27-20-21-16-6-1-4-9-19(16)28-20/h1-4,6-9H,5,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus				J Med Chem 51: 4529-38 (2008) Article DOI: 10.1021/jm800176x BindingDB Entry DOI: 10.7270/Q2Q81CWG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064193 ((2S,6R,11S)-6,11-Dimethyl-3-(2-piperidin-1-yl-ethy...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C21H32N2O/c1-16-20-14-17-6-7-18(24)15-19(17)21(16,2)8-11-23(20)13-12-22-9-4-3-5-10-22/h6-7,15-16,20,24H,3-5,8-14H2,1-2H3/t16-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418769 (CHEMBL1796050) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1 Show InChI InChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418769 (CHEMBL1796050) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1 Show InChI InChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Catania Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phos...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50091014 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31| Show InChI InChI=1S/C42H62N6O4/c1-6-7-15-37(43)44-19-11-12-20-45-39(51)35(22-28(2)3)47-38(50)26-46-40(52)42(31-13-9-8-10-14-31)25-32(42)27-48-21-18-41(5)29(4)36(48)23-30-16-17-33(49)24-34(30)41/h8-10,13-14,16-17,24,28-29,32,35-36,49H,6-7,11-12,15,18-23,25-27H2,1-5H3,(H2,43,44)(H,45,51)(H,46,52)(H,47,50)/t29?,32?,35?,36?,41-,42+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.				J Med Chem 43: 2992-3004 (2000) BindingDB Entry DOI: 10.7270/Q2862H5C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418763 (CHEMBL1796044) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-26(21-9-4-3-5-10-21)19-24(30)29(25(31)20-26)14-8-13-27-15-17-28(18-16-27)22-11-6-7-12-23(22)32-2/h3-7,9-12H,8,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair

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