Compile Data Set for Download or QSAR

Found 558 hits with Last Name = 'caccia' 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
Muscarinic acetylcholine receptor M2 (RAT)	BDBM82423 (CAS_132947 | NSC_132947 | TRIPITRAMINE) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329410 (CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50408535 (CHEMBL131865) Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50060685 (9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12 Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50408530 (CHEMBL1202003) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C67H80N10O6/c1-72(44-26-8-5-23-41-68-47-62(78)75-56-35-17-11-29-50(56)65(81)69-53-32-14-20-38-59(53)75)42-24-6-3-4-7-25-43-73(2)45-27-9-10-28-46-74(48-63(79)76-57-36-18-12-30-51(57)66(82)70-54-33-15-21-39-60(54)76)49-64(80)77-58-37-19-13-31-52(58)67(83)71-55-34-16-22-40-61(55)77/h11-22,29-40,68H,3-10,23-28,41-49H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50299661 (9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...) Show SMILES Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12 Show InChI InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50408535 (CHEMBL131865) Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity for rat cortex Muscarinic acetylcholine receptor M1				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50408527 (CHEMBL1202004) Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C52H70N8O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM50253281 (CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...) Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50063800 (3-(2-Piperidin-1-yl-ethyl)-6-propyl-3H-benzothiazo...) Show SMILES CCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Louvain Curated by ChEMBL					Assay Description The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand				J Med Chem 41: 1138-45 (1998) Article DOI: 10.1021/jm970682+ BindingDB Entry DOI: 10.7270/Q29S1Q5N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50299660 (7-fluoro-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...) Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21 Show InChI InChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22)	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081973 (4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...) Show SMILES CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12 Show InChI InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081969 (9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12 Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081969 (9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12 Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50060688 (7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM50253208 (CHEMBL492871 | N-Benzyl-4-(2-diphenyl)-1-piperazin...) Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C29H35N3O/c33-29(30-24-25-12-4-1-5-13-25)18-8-3-11-19-31-20-22-32(23-21-31)28-17-10-9-16-27(28)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17H,3,8,11,18-24H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258431 (CHEMBL523716 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...) Show SMILES ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C17H19FN6O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-24(14)15)23-8-6-22(7-9-23)11-16(19)21-25/h1-5,10,25H,6-9,11H2,(H2,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50060688 (7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50408525 (CHEMBL1202000) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-29-50(53)69-62(81)47-26-23-36-66-59(47)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-30-51(54)70-63(82)48-27-24-37-67-60(48)76)46-58(80)77-55-34-16-13-31-52(55)71-64(83)49-28-25-38-68-61(49)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329412 (CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50408530 (CHEMBL1202003) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C67H80N10O6/c1-72(44-26-8-5-23-41-68-47-62(78)75-56-35-17-11-29-50(56)65(81)69-53-32-14-20-38-59(53)75)42-24-6-3-4-7-25-43-73(2)45-27-9-10-28-46-74(48-63(79)76-57-36-18-12-30-51(57)66(82)70-54-33-15-21-39-60(54)76)49-64(80)77-58-37-19-13-31-52(58)67(83)71-55-34-16-22-40-61(55)77/h11-22,29-40,68H,3-10,23-28,41-49H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity for rat cortex Muscarinic acetylcholine receptor M1				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM50253244 (4-(2-Diphenyl)-N-(4-pyridinylmethyl)-1-piperazineh...) Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1 Show InChI InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50253062 (2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1 Show InChI InChI=1S/C25H33N3OS/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258495 ((R)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...) Show SMILES N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r| Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m1/s1	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253131 (2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...) Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1 Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50408535 (CHEMBL131865) Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47)	PDB KEGG 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329407 (CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(4) dopamine receptor (RAT)	BDBM50329408 (CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329405 (CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50253089 (2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1 Show InChI InChI=1S/C26H35N3OS/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					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
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258293 (CHEMBL445505 | [4-(7-Hydroxypyrrolo[1,2-a]quinoxal...) Show SMILES OC(=O)CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12 Show InChI InChI=1S/C17H18N4O3/c22-12-3-4-14-13(10-12)18-17(15-2-1-5-21(14)15)20-8-6-19(7-9-20)11-16(23)24/h1-5,10,22H,6-9,11H2,(H,23,24)	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				J Med Chem 51: 5813-22 (2008) Article DOI: 10.1021/jm800615e BindingDB Entry DOI: 10.7270/Q24749QX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081968 (6-(4-Benzyl-piperazin-1-yl)-pyrido[2,3-e]pyrrolo[1...) Show SMILES C(N1CCN(CC1)c1nc2ncccc2n2cccc12)c1ccccc1 Show InChI InChI=1S/C21H21N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)21-19-9-5-11-26(19)18-8-4-10-22-20(18)23-21/h1-11H,12-16H2	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258339 (CHEMBL492395 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...) Show SMILES ONC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C17H18FN5O2/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-23(14)15)22-8-6-21(7-9-22)11-16(24)20-25/h1-5,10,25H,6-9,11H2,(H,20,24)	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50299665 (7-hydroxy-4-(4-((3H-imidazol-4-yl)methyl)piperazin...) Show SMILES Oc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21 Show InChI InChI=1S/C19H20N6O/c26-15-3-4-17-16(10-15)22-19(18-2-1-5-25(17)18)24-8-6-23(7-9-24)12-14-11-20-13-21-14/h1-5,10-11,13,26H,6-9,12H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081970 (6-(4-Methyl-piperazin-1-yl)-pyrido[2,3-e]pyrrolo[1...) Show SMILES CN1CCN(CC1)c1nc2ncccc2n2cccc12 Show InChI InChI=1S/C15H17N5/c1-18-8-10-19(11-9-18)15-13-5-3-7-20(13)12-4-2-6-16-14(12)17-15/h2-7H,8-11H2,1H3	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50408539 (CHEMBL407678) Show SMILES CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C64H73N13O8/c1-72(54(78)33-9-7-17-35-65-42-56(80)75-51-30-14-11-24-45(51)62(83)69-48-27-21-36-66-59(48)75)39-18-5-3-4-6-19-40-73(2)55(79)34-10-8-20-41-74(43-57(81)76-52-31-15-12-25-46(52)63(84)70-49-28-22-37-67-60(49)76)44-58(82)77-53-32-16-13-26-47(53)64(85)71-50-29-23-38-68-61(50)77/h11-16,21-32,36-38,65H,3-10,17-20,33-35,39-44H2,1-2H3,(H,69,83)(H,70,84)(H,71,85)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329409 (CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50408527 (CHEMBL1202004) Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C52H70N8O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258462 ((S)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...) Show SMILES N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r| Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329413 (CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1 Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50408535 (CHEMBL131865) Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47)	PDB Reactome pathway KEGG 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine receptor M3				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258428 (CHEMBL523042 | [4-(9-Methylpyrrolo[1,2-a]quinoxali...) Show SMILES Cc1cccc2nc(N3CCN(CC(=O)NO)CC3)c3cccn3c12 Show InChI InChI=1S/C18H21N5O2/c1-13-4-2-5-14-17(13)23-7-3-6-15(23)18(19-14)22-10-8-21(9-11-22)12-16(24)20-25/h2-7,25H,8-12H2,1H3,(H,20,24)	PDB KEGG 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair

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