Compile Data Set for Download or QSAR

Found 469 hits with Last Name = 'yevich' and Initial = 'jp'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat lung cAMP-phosphodiesterase				J Med Chem 23: 1188-98 (1980) BindingDB Entry DOI: 10.7270/Q22B917N
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221806 (CHEMBL18267) Show SMILES Clc1ccc(CN2C3=NCCN3C(=O)c3[nH]cnc23)cc1 |t:7| Show InChI InChI=1S/C14H12ClN5O/c15-10-3-1-9(2-4-10)7-20-12-11(17-8-18-12)13(21)19-6-5-16-14(19)20/h1-4,8H,5-7H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat lung cAMP-phosphodiesterase				J Med Chem 23: 1188-98 (1980) BindingDB Entry DOI: 10.7270/Q22B917N
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat lung cAMP-phosphodiesterase				J Med Chem 23: 1188-98 (1980) BindingDB Entry DOI: 10.7270/Q22B917N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor measured using radioligand ([3H]spiperone) binding assay				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016966 (1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.876	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50367315 (CHEMBL1203220) Show SMILES O=C1CSC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C18H22N4O2S2/c23-16-13-25-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)26-19-17/h1-2,5-6H,3-4,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50282958 (1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-pipera...) Show SMILES NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1 Show InChI InChI=1S/C18H30FN5/c19-16-13-21-18(22-14-16)24-11-9-23(10-12-24)8-4-7-17(20)15-5-2-1-3-6-15/h13-15,17H,1-12,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin 5-HT2A receptor by the displacement of [3H]-spiperone from rat cortical membranes				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019378 (3-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES Oc1csc(=O)n1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C18H22N4O3S/c23-16-13-26-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)25-19-17/h1-2,5-6,13,23H,3-4,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50282974 (CHEMBL58283 | N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrim...) Show SMILES Fc1ccc(cc1)C(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1 Show InChI InChI=1S/C25H33F2N5O/c26-21-10-8-20(9-11-21)24(33)30-23(19-5-2-1-3-6-19)7-4-12-31-13-15-32(16-14-31)25-28-17-22(27)18-29-25/h8-11,17-19,23H,1-7,12-16H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin 5-HT1A receptor by the displacement of [3H]-8-OH-DPAT from rat hippocampus				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50282973 (4-Fluoro-N-{1-(4-fluoro-naphthalen-1-yl)-4-[4-(5-f...) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C28H28F3N5O2S/c29-20-7-9-22(10-8-20)39(37,38)34-27(25-11-12-26(31)24-5-2-1-4-23(24)25)6-3-13-35-14-16-36(17-15-35)28-32-18-21(30)19-33-28/h1-2,4-5,7-12,18-19,27,34H,3,6,13-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards sigma receptor by the displacement of [3H]-PPP from guinea pig brain				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50282962 (1-(4-Fluoro-naphthalen-1-yl)-4-[4-(5-fluoro-pyrimi...) Show SMILES NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C22H25F2N5/c23-16-14-26-22(27-15-16)29-12-10-28(11-13-29)9-3-6-21(25)19-7-8-20(24)18-5-2-1-4-17(18)19/h1-2,4-5,7-8,14-15,21H,3,6,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin 5-HT2A receptor by the displacement of [3H]-spiperone from rat cortical membranes				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50282966 (CHEMBL58282 | N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrim...) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1 Show InChI InChI=1S/C24H33F2N5O2S/c25-20-8-10-22(11-9-20)34(32,33)29-23(19-5-2-1-3-6-19)7-4-12-30-13-15-31(16-14-30)24-27-17-21(26)18-28-24/h8-11,17-19,23,29H,1-7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin 5-HT1A receptor by the displacement of [3H]-8-OH-DPAT from rat hippocampus				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016955 (4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016966 (1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016955 (4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016959 (4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-piperaz...) Show SMILES CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1 Show InChI InChI=1S/C21H28N4O2S/c1-16-14-19(26)25(20(27)15-16)8-3-2-7-23-9-11-24(12-10-23)21-17-5-13-28-18(17)4-6-22-21/h4-6,13,16H,2-3,7-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace radioligand (+)-[3H]-3-PPP from rat cortical sigma receptor				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50282974 (CHEMBL58283 | N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrim...) Show SMILES Fc1ccc(cc1)C(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1 Show InChI InChI=1S/C25H33F2N5O/c26-21-10-8-20(9-11-21)24(33)30-23(19-5-2-1-3-6-19)7-4-12-31-13-15-32(16-14-31)25-28-17-22(27)18-29-25/h8-11,17-19,23H,1-7,12-16H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards sigma receptor by the displacement of [3H]-PPP from guinea pig brain				Bioorg Med Chem Lett 4: 1941-1946 (1994) Article DOI: 10.1016/S0960-894X(01)80539-4 BindingDB Entry DOI: 10.7270/Q28C9W6R
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes				J Med Chem 26: 194-203 (1983) BindingDB Entry DOI: 10.7270/Q2G73GXD
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019359 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES OC(CCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019359 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES OC(CCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spiperone				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019376 (4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fl...) Show SMILES OC(CCCN1CCN(CC1)c1noc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016971 (3-{4-[4-(2-Methyl-furo[3,2-c]pyridin-4-yl)-piperaz...) Show SMILES Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C23H30N4O3S/c1-17-16-18-19(30-17)6-9-24-20(18)26-14-12-25(13-15-26)10-4-5-11-27-21(28)23(31-22(27)29)7-2-3-8-23/h6,9,16H,2-5,7-8,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1A receptor of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016966 (1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016969 (1-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1CCCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C20H26N4O2S/c25-18-4-3-5-19(26)24(18)10-2-1-9-22-11-13-23(14-12-22)20-16-7-15-27-17(16)6-8-21-20/h6-8,15H,1-5,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007691 (3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]-8-OH-DPAT				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019372 (8-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H30N4O2S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)11-5-10-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)30-24-22/h1-2,6-7H,3-5,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50016960 (4,4-Dimethyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-pip...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1 Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21/h5-7,14H,3-4,8-13,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016967 (3-{4-[4-(2-Methyl-thieno[3,2-c]pyridin-4-yl)-piper...) Show SMILES Cc1cc2c(nccc2s1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C23H30N4O2S2/c1-17-16-18-19(30-17)6-9-24-20(18)26-14-12-25(13-15-26)10-4-5-11-27-21(28)23(31-22(27)29)7-2-3-8-23/h6,9,16H,2-5,7-8,10-15H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016957 (3-[4-(4-Thieno[2,3-c]pyridin-7-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2ccsc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-18-17(5-9-23-19)6-16-29-18/h5-6,9,16H,1-4,7-8,10-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description In vitro evaluation for arachidonic acid induced platelet aggregation of human platelet-rich plasma				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016956 (1-{4-[4-(2-Bromo-thieno[3,2-c]pyridin-4-yl)-pipera...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sc(Br)cc23)C(=O)C1 Show InChI InChI=1S/C22H29BrN4O2S/c1-22(2)14-19(28)27(20(29)15-22)8-4-3-7-25-9-11-26(12-10-25)21-16-13-18(23)30-17(16)5-6-24-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016958 (1-(4-Fluoro-phenyl)-4-(4-thieno[3,2-c]pyridin-4-yl...) Show SMILES OC(CCCN1CCN(CC1)c1nccc2sccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21/h3-9,15,19,26H,1-2,10-14H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50016964 (3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 2 receptor of rat hippocampus by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019368 (1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1 Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)10-6-5-9-24-11-13-25(14-12-24)21-17-7-3-4-8-18(17)29-23-21/h3-4,7-8H,5-6,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50016959 (4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-piperaz...) Show SMILES CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1 Show InChI InChI=1S/C21H28N4O2S/c1-16-14-19(26)25(20(27)15-16)8-3-2-7-23-9-11-24(12-10-23)21-17-5-13-28-18(17)4-6-22-21/h4-6,13,16H,2-3,7-12,14-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007691 (3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016965 (4,4-Dimethyl-1-{4-[4-(2-methyl-furo[3,2-c]pyridin-...) Show SMILES Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)CC(C)(C)CC2=O)CC1 Show InChI InChI=1S/C23H32N4O3/c1-17-14-18-19(30-17)6-7-24-22(18)26-12-10-25(11-13-26)8-4-5-9-27-20(28)15-23(2,3)16-21(27)29/h6-7,14H,4-5,8-13,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair

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