Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50035749   

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))	BDBM50367721 (CHEMBL1202512) Show SMILES O=C1C2C(C3CCC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C24H33N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,8-9,16-21H,1-2,4-7,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367726 (CHEMBL1202507) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25| Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367719 (CHEMBL1202513) Show SMILES O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5| Show InChI InChI=1S/C24H31N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,6-9,16-21H,1-2,4-5,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367735 (CHEMBL1204093) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:23,28| Show InChI InChI=1S/C27H33N3O3/c1-33-23-7-3-2-6-22(23)29-16-14-28(15-17-29)12-4-5-13-30-26(31)24-20-10-11-21(25(24)27(30)32)19-9-8-18(19)20/h2-3,6-11,18-21,24-25H,4-5,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367733 (CHEMBL1202527) Show SMILES O=C1C2C(C3CCC2CCC3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |TLB:11:3:8.9.10:5.6,THB:1:2:8.9.10:5.6| Show InChI InChI=1S/C23H33N5O2/c29-21-19-17-5-3-6-18(8-7-17)20(19)22(30)28(21)12-2-1-11-26-13-15-27(16-14-26)23-24-9-4-10-25-23/h4,9-10,17-20H,1-3,5-8,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367736 (CHEMBL1202530) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CCC(C4)C12C1CCC3C1 |THB:1:27:23.24:26,1:27:29.30:32,19:21:23.24:26,19:21:29.30:32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-.57,-1.59,;.11,-.39,;-1.23,,;-1.64,1,;-2.57,-.39,;-4.3,-.86,;-4.27,-2.5,;-4.96,-3.71,;-5,-2.02,;-5.66,-.5,)| Show InChI InChI=1S/C26H35N5O2/c32-22-25-18-4-5-19(16-18)26(25,21-7-6-20(25)17-21)23(33)31(22)11-2-1-10-29-12-14-30(15-13-29)24-27-8-3-9-28-24/h3,8-9,18-21H,1-2,4-7,10-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020115 (4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...) Show SMILES O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					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	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367731 (CHEMBL1202506) Show SMILES O=C1C2C(C3CCCC2C=C3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:10,TLB:1:2:7.6.5:10.9,THB:11:3:7.6.5:10.9| Show InChI InChI=1S/C23H31N5O2/c29-21-19-17-5-3-6-18(8-7-17)20(19)22(30)28(21)12-2-1-11-26-13-15-27(16-14-26)23-24-9-4-10-25-23/h4,7-10,17-20H,1-3,5-6,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367723 (CHEMBL1202494) Show SMILES O=C1C2C(C3CCC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3| Show InChI InChI=1S/C23H31N5O2/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23/h3,6-7,15-20H,1-2,4-5,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367725 (CHEMBL1202520) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CC(C=C4)C12C1CC3C=C1 |c:27,37,TLB:1:27:23:25.26,1:27:29:31.32,19:21:23:25.26,19:21:29:31.32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-1.64,1,;-1.23,,;.11,-.39,;-.57,-1.59,;-2.57,-.39,;-4.3,-.86,;-5.66,-.5,;-5,-2.02,;-4.96,-3.71,;-4.27,-2.5,)| Show InChI InChI=1S/C26H31N5O2/c32-22-25-18-4-5-19(16-18)26(25,21-7-6-20(25)17-21)23(33)31(22)11-2-1-10-29-12-14-30(15-13-29)24-27-8-3-9-28-24/h3-9,18-21H,1-2,10-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020142 (4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]buty...) Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(21.6,-11.25,;20.27,-12.02,;20.27,-13.58,;18.94,-14.33,;17.62,-13.56,;17.63,-12.02,;18.94,-11.25,;16.28,-11.25,;14.96,-12.02,;13.62,-11.25,;13.64,-9.72,;12.31,-8.95,;10.99,-9.72,;9.65,-8.95,;8.33,-9.72,;6.99,-8.95,;5.57,-9.58,;5.26,-11.06,;4.55,-8.43,;5.33,-7.09,;4.56,-5.77,;3.23,-6.58,;4.32,-7.67,;2.99,-8.46,;2.22,-7.11,;1.45,-5.77,;2.99,-5.77,;6.82,-7.43,;7.95,-6.38,;14.97,-8.95,;16.3,-9.72,)| Show InChI InChI=1S/C25H30ClN3O2/c26-16-4-3-5-17(14-16)28-12-10-27(11-13-28)8-1-2-9-29-24(30)22-18-6-7-19(21-15-20(18)21)23(22)25(29)31/h3-7,14,18-23H,1-2,8-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367726 (CHEMBL1202507) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25| Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367734 (CHEMBL1202523) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4CCC3CCC4)C2=O)CC1 |TLB:19:21:27.28.29:24.25,THB:30:22:27.28.29:24.25| Show InChI InChI=1S/C26H34F3N3O2/c27-26(28,29)20-7-4-8-21(17-20)31-15-13-30(14-16-31)11-1-2-12-32-24(33)22-18-5-3-6-19(10-9-18)23(22)25(32)34/h4,7-8,17-19,22-23H,1-3,5-6,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367729 (CHEMBL1204094) Show SMILES O=C1C2C(C3C=CC2C2C=CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10| Show InChI InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020126 (4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]buty...) Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(26.79,-15.91,;25.45,-16.69,;25.45,-18.23,;24.13,-19,;22.79,-18.23,;22.81,-16.69,;24.14,-15.92,;21.47,-15.91,;20.13,-16.68,;18.81,-15.91,;18.81,-14.37,;17.5,-13.6,;16.15,-14.37,;14.82,-13.6,;13.49,-14.37,;12.16,-13.6,;11.98,-12.07,;13.13,-11.05,;10.49,-11.75,;9.7,-13.1,;8.16,-13.1,;9.48,-12.33,;8.38,-11.24,;9.72,-10.41,;8.16,-10.43,;6.81,-9.66,;6.04,-10.98,;7.39,-11.75,;10.73,-14.22,;10.43,-15.73,;20.15,-13.6,;21.47,-14.37,)| Show InChI InChI=1S/C26H32ClN3O2/c27-17-4-3-5-18(16-17)29-14-12-28(13-15-29)10-1-2-11-30-25(31)23-21-8-9-22(24(23)26(30)32)20-7-6-19(20)21/h3-5,8-9,16,19-24H,1-2,6-7,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367732 (CHEMBL1202493) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CC43)C2=O)CC1 |THB:28:29:25.24:21.22,28:27:25.24:21.22,30:22:25.24:29.27| Show InChI InChI=1S/C26H32F3N3O2/c27-26(28,29)16-4-3-5-17(14-16)31-12-10-30(11-13-31)8-1-2-9-32-24(33)22-18-6-7-19(21-15-20(18)21)23(22)25(32)34/h3-5,14,18-23H,1-2,6-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367728 (CHEMBL1202515) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:25,30| Show InChI InChI=1S/C27H30F3N3O2/c28-27(29,30)17-4-3-5-18(16-17)32-14-12-31(13-15-32)10-1-2-11-33-25(34)23-21-8-9-22(24(23)26(33)35)20-7-6-19(20)21/h3-9,16,19-24H,1-2,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020145 (4-{4-[4-(3-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CC43)C2=O)CC1 Show InChI InChI=1S/C23H30ClN5O2/c24-20-21(26-6-5-25-20)28-11-9-27(10-12-28)7-1-2-8-29-22(30)18-14-3-4-15(17-13-16(14)17)19(18)23(29)31/h5-6,14-19H,1-4,7-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367730 (CHEMBL1202508) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:25,THB:28:29:25.24:21.22,28:27:25.24:21.22,30:22:25.24:29.27| Show InChI InChI=1S/C26H30F3N3O2/c27-26(28,29)16-4-3-5-17(14-16)31-12-10-30(11-13-31)8-1-2-9-32-24(33)22-18-6-7-19(21-15-20(18)21)23(22)25(32)34/h3-7,14,18-23H,1-2,8-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020121 (4-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23| Show InChI InChI=1S/C21H26ClN5O2/c22-18-19(24-6-5-23-18)26-11-9-25(10-12-26)7-1-2-8-27-20(28)16-14-3-4-15(13-14)17(16)21(27)29/h3-6,14-17H,1-2,7-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367720 (CHEMBL1202504) Show SMILES O=C1C2C(C3C=CC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3| Show InChI InChI=1S/C23H29N5O2/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23/h3-7,15-20H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020131 (4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]buty...) Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:22,27,(27.22,-15.51,;25.9,-16.29,;25.9,-17.83,;24.56,-18.6,;23.24,-17.83,;23.25,-16.29,;24.56,-15.53,;21.9,-15.51,;20.58,-16.28,;19.24,-15.51,;19.26,-13.98,;17.93,-13.21,;16.6,-13.98,;15.27,-13.21,;13.94,-13.98,;12.61,-13.21,;12.44,-11.68,;13.57,-10.65,;10.94,-11.36,;10.16,-12.7,;8.6,-12.7,;9.94,-11.94,;8.85,-10.85,;10.17,-10.01,;8.6,-10.03,;7.28,-9.26,;6.51,-10.59,;7.83,-11.36,;11.19,-13.83,;10.88,-15.33,;20.59,-13.21,;21.93,-13.98,)| Show InChI InChI=1S/C26H30ClN3O2/c27-17-4-3-5-18(16-17)29-14-12-28(13-15-29)10-1-2-11-30-25(31)23-21-8-9-22(24(23)26(30)32)20-7-6-19(20)21/h3-9,16,19-24H,1-2,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367722 (CHEMBL1202511) Show SMILES O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1cnccn1 |c:5| Show InChI InChI=1S/C24H31N5O2/c30-23-21-18-5-6-19(17-4-3-16(17)18)22(21)24(31)29(23)10-2-1-9-27-11-13-28(14-12-27)20-15-25-7-8-26-20/h5-8,15-19,21-22H,1-4,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020123 (4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...) Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C21H27N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3-7,15-18H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020122 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CCC43)C2=O)CC1 Show InChI InChI=1S/C24H32ClN5O2/c25-19-13-26-14-20(27-19)29-11-9-28(10-12-29)7-1-2-8-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h13-18,21-22H,1-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367721 (CHEMBL1202512) Show SMILES O=C1C2C(C3CCC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C24H33N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,8-9,16-21H,1-2,4-7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367724 (CHEMBL1202516) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:25| Show InChI InChI=1S/C27H32F3N3O2/c28-27(29,30)17-4-3-5-18(16-17)32-14-12-31(13-15-32)10-1-2-11-33-25(34)23-21-8-9-22(24(23)26(33)35)20-7-6-19(20)21/h3-5,8-9,16,19-24H,1-2,6-7,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020122 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CCC43)C2=O)CC1 Show InChI InChI=1S/C24H32ClN5O2/c25-19-13-26-14-20(27-19)29-11-9-28(10-12-29)7-1-2-8-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h13-18,21-22H,1-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020137 (4-{4-[4-(3-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CCC43)C2=O)CC1 Show InChI InChI=1S/C24H32ClN5O2/c25-21-22(27-8-7-26-21)29-13-11-28(12-14-29)9-1-2-10-30-23(31)19-17-5-6-18(20(19)24(30)32)16-4-3-15(16)17/h7-8,15-20H,1-6,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367719 (CHEMBL1202513) Show SMILES O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5| Show InChI InChI=1S/C24H31N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,6-9,16-21H,1-2,4-5,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020130 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCC3C=C4)C2=O)CC1 |c:27,TLB:27:19:26.25:22.23.21,THB:16:18:26.25:22.23.21| Show InChI InChI=1S/C23H30ClN5O2/c24-18-14-25-15-19(26-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-4-3-5-17(7-6-16)21(20)23(29)31/h6-7,14-17,20-21H,1-5,8-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020116 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1 |c:28,(24.8,-19.6,;24.8,-18.06,;26.15,-17.31,;26.15,-15.77,;24.83,-14.99,;23.51,-15.76,;23.49,-17.3,;22.17,-14.97,;20.83,-15.74,;19.52,-14.97,;19.52,-13.45,;18.2,-12.68,;16.86,-13.45,;15.53,-12.68,;14.2,-13.45,;12.88,-12.68,;12.69,-11.16,;13.85,-10.12,;11.21,-10.83,;10.42,-12.17,;8.88,-12.18,;8.11,-10.84,;6.77,-10.06,;7.54,-8.72,;8.88,-9.49,;10.44,-9.49,;9.11,-10.31,;10.2,-11.38,;11.44,-13.3,;11.15,-14.81,;20.85,-12.66,;22.17,-13.43,)| Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50367727 (CHEMBL1202502) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cnccn2)C(=O)C23C4CC(C=C4)C12C1CC3C=C1 |c:27,37,TLB:1:27:23:25.26,1:27:29:31.32,19:21:23:25.26,19:21:29:31.32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-1.64,1,;-1.23,,;.11,-.39,;-.57,-1.59,;-2.57,-.39,;-4.3,-.86,;-5.66,-.5,;-5,-2.02,;-4.96,-3.71,;-4.27,-2.5,)| Show InChI InChI=1S/C26H31N5O2/c32-23-25-18-3-4-19(15-18)26(25,21-6-5-20(25)16-21)24(33)31(23)10-2-1-9-29-11-13-30(14-12-29)22-17-27-7-8-28-22/h3-8,17-21H,1-2,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367723 (CHEMBL1202494) Show SMILES O=C1C2C(C3CCC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3| Show InChI InChI=1S/C23H31N5O2/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23/h3,6-7,15-20H,1-2,4-5,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020138 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCC3CCC4)C2=O)CC1 |TLB:16:18:21.22:25.24.26,THB:27:19:21.22:25.24.26| Show InChI InChI=1S/C23H32ClN5O2/c24-18-14-25-15-19(26-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-4-3-5-17(7-6-16)21(20)23(29)31/h14-17,20-21H,1-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020124 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(25.81,-7.96,;25.81,-6.42,;27.16,-5.67,;27.18,-4.13,;25.84,-3.34,;24.52,-4.11,;24.5,-5.65,;23.18,-3.34,;23.18,-1.81,;21.86,-1.04,;20.52,-1.81,;19.21,-1.04,;17.86,-1.81,;16.54,-1.04,;15.2,-1.81,;13.88,-1.04,;12.45,-1.67,;12.15,-3.17,;11.42,-.52,;12.21,.82,;11.44,2.15,;10.11,1.34,;11.2,.25,;9.88,-.54,;9.11,.8,;8.33,2.15,;9.88,2.15,;13.7,.48,;14.85,1.53,;20.52,-3.34,;21.84,-4.11,)| Show InChI InChI=1S/C23H28ClN5O2/c24-18-12-25-13-19(26-18)28-9-7-27(8-10-28)5-1-2-6-29-22(30)20-14-3-4-15(17-11-16(14)17)21(20)23(29)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020113 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(24.8,-19.63,;24.8,-18.1,;26.15,-17.34,;26.15,-15.8,;24.83,-15.02,;23.51,-15.79,;23.49,-17.33,;22.17,-15,;20.83,-15.77,;19.52,-15,;19.52,-13.48,;18.2,-12.72,;16.86,-13.48,;15.53,-12.72,;14.2,-13.48,;12.88,-12.72,;12.69,-11.19,;13.85,-10.15,;11.21,-10.86,;10.42,-12.2,;8.88,-12.21,;10.2,-11.43,;9.11,-10.35,;10.44,-9.52,;8.88,-9.52,;7.54,-8.75,;6.77,-10.09,;8.11,-10.87,;11.44,-13.33,;11.15,-14.84,;20.85,-12.69,;22.17,-13.46,)| Show InChI InChI=1S/C24H30ClN5O2/c25-19-13-26-14-20(27-19)29-11-9-28(10-12-29)7-1-2-8-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h5-6,13-18,21-22H,1-4,7-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020123 (4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...) Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C21H27N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3-7,15-18H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367729 (CHEMBL1204094) Show SMILES O=C1C2C(C3C=CC2C2C=CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10| Show InChI InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020116 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1 |c:28,(24.8,-19.6,;24.8,-18.06,;26.15,-17.31,;26.15,-15.77,;24.83,-14.99,;23.51,-15.76,;23.49,-17.3,;22.17,-14.97,;20.83,-15.74,;19.52,-14.97,;19.52,-13.45,;18.2,-12.68,;16.86,-13.45,;15.53,-12.68,;14.2,-13.45,;12.88,-12.68,;12.69,-11.16,;13.85,-10.12,;11.21,-10.83,;10.42,-12.17,;8.88,-12.18,;8.11,-10.84,;6.77,-10.06,;7.54,-8.72,;8.88,-9.49,;10.44,-9.49,;9.11,-10.31,;10.2,-11.38,;11.44,-13.3,;11.15,-14.81,;20.85,-12.66,;22.17,-13.43,)| Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020144 (2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexa...) Show SMILES O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H29N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h5,8-9,16-17H,1-4,6-7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020113 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(24.8,-19.63,;24.8,-18.1,;26.15,-17.34,;26.15,-15.8,;24.83,-15.02,;23.51,-15.79,;23.49,-17.33,;22.17,-15,;20.83,-15.77,;19.52,-15,;19.52,-13.48,;18.2,-12.72,;16.86,-13.48,;15.53,-12.72,;14.2,-13.48,;12.88,-12.72,;12.69,-11.19,;13.85,-10.15,;11.21,-10.86,;10.42,-12.2,;8.88,-12.21,;10.2,-11.43,;9.11,-10.35,;10.44,-9.52,;8.88,-9.52,;7.54,-8.75,;6.77,-10.09,;8.11,-10.87,;11.44,-13.33,;11.15,-14.84,;20.85,-12.69,;22.17,-13.46,)| Show InChI InChI=1S/C24H30ClN5O2/c25-19-13-26-14-20(27-19)29-11-9-28(10-12-29)7-1-2-8-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h5-6,13-18,21-22H,1-4,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367720 (CHEMBL1202504) Show SMILES O=C1C2C(C3C=CC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3| Show InChI InChI=1S/C23H29N5O2/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23/h3-7,15-20H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020124 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(25.81,-7.96,;25.81,-6.42,;27.16,-5.67,;27.18,-4.13,;25.84,-3.34,;24.52,-4.11,;24.5,-5.65,;23.18,-3.34,;23.18,-1.81,;21.86,-1.04,;20.52,-1.81,;19.21,-1.04,;17.86,-1.81,;16.54,-1.04,;15.2,-1.81,;13.88,-1.04,;12.45,-1.67,;12.15,-3.17,;11.42,-.52,;12.21,.82,;11.44,2.15,;10.11,1.34,;11.2,.25,;9.88,-.54,;9.11,.8,;8.33,2.15,;9.88,2.15,;13.7,.48,;14.85,1.53,;20.52,-3.34,;21.84,-4.11,)| Show InChI InChI=1S/C23H28ClN5O2/c24-18-12-25-13-19(26-18)28-9-7-27(8-10-28)5-1-2-6-29-22(30)20-14-3-4-15(17-11-16(14)17)21(20)23(29)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020136 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES [#6]\[#6](-[#6])=[#6]-1/[#6]-2-[#6]=[#6]-[#6]-1-[#6]-1-[#6]2-[#6](=O)-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2cncc(Cl)n2)-[#6]-1=O |c:5,TLB:30:8:3:5.6,1:3:8.9:5.6,THB:10:9:3:5.6| Show InChI InChI=1S/C24H30ClN5O2/c1-15(2)20-16-5-6-17(20)22-21(16)23(31)30(24(22)32)8-4-3-7-28-9-11-29(12-10-28)19-14-26-13-18(25)27-19/h5-6,13-14,16-17,21-22H,3-4,7-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	968	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020141 (4-{4-[4-(6-chloro-3-pyridazinyl)hexahydro-1-pyrazi...) Show SMILES Clc1ccc(nn1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(16.79,-27.32,;15.48,-26.56,;14.14,-27.32,;12.82,-26.55,;12.82,-25.01,;14.16,-24.25,;15.48,-25.03,;11.5,-24.22,;10.16,-24.99,;8.84,-24.22,;8.85,-22.71,;7.53,-21.94,;6.19,-22.71,;4.85,-21.94,;3.53,-22.71,;2.19,-21.94,;2.03,-20.41,;3.17,-19.38,;.52,-20.08,;-.25,-21.43,;-1.79,-21.44,;-.47,-20.66,;-1.56,-19.57,;-.25,-18.75,;-1.79,-18.75,;-3.13,-17.98,;-3.9,-19.31,;-2.56,-20.09,;.78,-22.56,;.46,-24.06,;10.16,-21.92,;11.51,-22.69,)| Show InChI InChI=1S/C24H30ClN5O2/c25-19-7-8-20(27-26-19)29-13-11-28(12-14-29)9-1-2-10-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h5-8,15-18,21-22H,1-4,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020125 (4-{4-[4-(6-chloro-3-pyridazinyl)hexahydro-1-pyrazi...) Show SMILES Clc1ccc(nn1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(28.49,-6.44,;27.16,-5.67,;25.81,-6.42,;24.5,-5.65,;24.52,-4.11,;25.84,-3.34,;27.18,-4.13,;23.18,-3.34,;23.18,-1.81,;21.86,-1.04,;20.52,-1.81,;19.21,-1.04,;17.86,-1.81,;16.54,-1.04,;15.2,-1.81,;13.88,-1.04,;12.45,-1.67,;12.15,-3.17,;11.42,-.52,;12.21,.82,;11.44,2.15,;10.11,1.34,;11.2,.25,;9.88,-.54,;9.11,.8,;8.33,2.15,;9.88,2.15,;13.7,.48,;14.85,1.53,;20.52,-3.34,;21.84,-4.11,)| Show InChI InChI=1S/C23H28ClN5O2/c24-18-5-6-19(26-25-18)28-11-9-27(10-12-28)7-1-2-8-29-22(30)20-14-3-4-15(17-13-16(14)17)21(20)23(29)31/h3-6,14-17,20-21H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair