Compile Data Set for Download or QSAR

Found 345 hits with Last Name = 'taylor' and Initial = 'dp'   

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
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
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
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))	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
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
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 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
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
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)
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
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
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
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019377 (8-{4-[4-(6-Chloro-benzo[d]isoxazol-3-yl)-piperazin...) Show SMILES Clc1ccc2c(noc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H31ClN4O3/c25-18-5-6-19-20(15-18)32-26-23(19)28-13-11-27(12-14-28)9-3-4-10-29-21(30)16-24(17-22(29)31)7-1-2-8-24/h5-6,15H,1-4,7-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019375 (4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fl...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C21H22FN3O2/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/h1-2,4,6-10H,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	5	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					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...)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.60	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))	BDBM50019358 (8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C24H32N4O3/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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	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))	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	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against radioligand [3H]spiperone binding to rat striatal dopamine receptor D2				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					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	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its affinity towards 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))	BDBM50019990 (2-{4-[4-(2,4-Dioxo-1-thia-3-aza-spiro[4.4]non-3-yl...) Show SMILES COC(=O)c1cccnc1N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C22H30N4O4S/c1-30-19(27)17-7-6-10-23-18(17)25-15-13-24(14-16-25)11-4-5-12-26-20(28)22(31-21(26)29)8-2-3-9-22/h6-7,10H,2-5,8-9,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor				J Med Chem 31: 618-24 (1988) BindingDB Entry DOI: 10.7270/Q2222SR2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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	8	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))	BDBM50019379 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H22FN3OS/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/h1-2,4,6-10H,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	8	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex 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))	BDBM50367314 (CHEMBL1203224) Show SMILES CCCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1 Show InChI InChI=1S/C24H34N4O2S/c1-3-10-24(2)17-21(29)28(22(30)18-24)12-7-6-11-26-13-15-27(16-14-26)23-19-8-4-5-9-20(19)31-25-23/h4-5,8-9H,3,6-7,10-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50367316 (CHEMBL1203226) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(9-3-4-10-22)29-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-17-7-1-2-8-18(17)30-23-19/h1-2,7-8H,3-6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019999 (2-{4-[4-(2,4-Dioxo-1-thia-3-aza-spiro[4.4]non-3-yl...) Show SMILES O=Cc1cccnc1N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C21H28N4O3S/c26-16-17-6-5-9-22-18(17)24-14-12-23(13-15-24)10-3-4-11-25-19(27)21(29-20(25)28)7-1-2-8-21/h5-6,9,16H,1-4,7-8,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor				J Med Chem 31: 618-24 (1988) BindingDB Entry DOI: 10.7270/Q2222SR2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019379 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H22FN3OS/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/h1-2,4,6-10H,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	10	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50282969 (1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-pipera...) Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1 Show InChI InChI=1S/C18H29FN4O/c19-16-13-20-18(21-14-16)23-11-9-22(10-12-23)8-4-7-17(24)15-5-2-1-3-6-15/h13-15,17,24H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	12	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 1A/1B/1D/1F (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 MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1 receptor was measured using radioligand ([3H]5-HT) binding assay				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))	BDBM50026926 (8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex 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))	BDBM50019987 (4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-bu...) Show SMILES O=C1COCC(=O)N1CCCCN1CCN(CC1)c1ncccc1-c1ccccc1 Show InChI InChI=1S/C23H28N4O3/c28-21-17-30-18-22(29)27(21)12-5-4-11-25-13-15-26(16-14-25)23-20(9-6-10-24-23)19-7-2-1-3-8-19/h1-3,6-10H,4-5,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor				J Med Chem 31: 618-24 (1988) BindingDB Entry DOI: 10.7270/Q2222SR2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM79181 (10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its affinity towards 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))	BDBM50019989 (4-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-bu...) Show SMILES Clc1cccnc1N1CCN(CCCCN2C(=O)COCC2=O)CC1 Show InChI InChI=1S/C17H23ClN4O3/c18-14-4-3-5-19-17(14)21-10-8-20(9-11-21)6-1-2-7-22-15(23)12-25-13-16(22)24/h3-5H,1-2,6-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor				J Med Chem 31: 618-24 (1988) BindingDB Entry DOI: 10.7270/Q2222SR2
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	18	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 was 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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50026939 (8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex 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))	BDBM50020003 (3-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-bu...) Show SMILES Clc1cccnc1N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C20H27ClN4O2S/c21-16-6-5-9-22-17(16)24-14-12-23(13-15-24)10-3-4-11-25-18(26)20(28-19(25)27)7-1-2-8-20/h5-6,9H,1-4,7-8,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor				J Med Chem 31: 618-24 (1988) BindingDB Entry DOI: 10.7270/Q2222SR2
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	21	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002330 (4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...) Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002329 (1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)N=O Show InChI InChI=1S/C18H21F2N5O/c19-15-5-3-14(4-6-15)17(23-26)2-1-7-24-8-10-25(11-9-24)18-21-12-16(20)13-22-18/h3-6,12-13,17H,1-2,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50224641 (CHEMBL305121) Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C23H32ClN3O2/c24-19-6-5-7-20(16-19)26-14-12-25(13-15-26)10-3-4-11-27-21(28)17-23(18-22(27)29)8-1-2-9-23/h5-7,16H,1-4,8-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes				J Med Chem 26: 194-203 (1983) BindingDB Entry DOI: 10.7270/Q2G73GXD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50282963 (5-Fluoro-2-{4-[4-(4-fluoro-phenyl)-butyl]-piperazi...) Show SMILES Fc1ccc(CCCCN2CCN(CC2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C18H22F2N4/c19-16-6-4-15(5-7-16)3-1-2-8-23-9-11-24(12-10-23)18-21-13-17(20)14-22-18/h4-7,13-14H,1-3,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	23	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002331 (4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...) Show SMILES COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019358 (8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C24H32N4O3/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	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002323 (4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4...) Show SMILES OC(CCCN1CCN(CC1)c1ncc(Br)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C18H22BrFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002322 (4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...) Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 345 total )  |  Next  |  Last  >>

Jump to: