Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with all data for entry = 50036455   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50053691 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50053691 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053700 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCCC1 Show InChI InChI=1S/C23H32N4OS2/c28-22-23(10-4-1-5-11-23)29-18-27(22)13-7-6-12-25-14-16-26(17-15-25)21-19-8-2-3-9-20(19)30-24-21/h2-3,8-9H,1,4-7,10-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053694 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCC1 Show InChI InChI=1S/C22H30N4OS2/c27-21-22(9-3-4-10-22)28-17-26(21)12-6-5-11-24-13-15-25(16-14-24)20-18-7-1-2-8-19(18)29-23-20/h1-2,7-8H,3-6,9-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053715 (3-[4-(4-Benzo[b]thiophen-3-yl-piperazin-1-yl)-buty...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2csc3ccccc23)CSC11CCCC1 Show InChI InChI=1S/C23H31N3OS2/c27-22-23(9-3-4-10-23)29-18-26(22)12-6-5-11-24-13-15-25(16-14-24)20-17-28-21-8-2-1-7-19(20)21/h1-2,7-8,17H,3-6,9-16,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053704 (3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2CSC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C22H33N3O2S/c1-27-20-9-3-2-8-19(20)24-16-14-23(15-17-24)12-6-7-13-25-18-28-22(21(25)26)10-4-5-11-22/h2-3,8-9H,4-7,10-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053728 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES FC(F)(F)CC1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O Show InChI InChI=1S/C20H25F3N4OS2/c21-20(22,23)13-17-19(28)27(14-29-17)8-4-3-7-25-9-11-26(12-10-25)18-15-5-1-2-6-16(15)30-24-18/h1-2,5-6,17H,3-4,7-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053710 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H32N4OS2/c1-18-27(22(28)23(29-18)10-4-5-11-23)13-7-6-12-25-14-16-26(17-15-25)21-19-8-2-3-9-20(19)30-24-21/h2-3,8-9,18H,4-7,10-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053707 (3-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-buty...) Show SMILES Cc1cccc(N2CCN(CCCCN3CSC(C)(C)C3=O)CC2)c1C Show InChI InChI=1S/C21H33N3OS/c1-17-8-7-9-19(18(17)2)23-14-12-22(13-15-23)10-5-6-11-24-16-26-21(3,4)20(24)25/h7-9H,5-6,10-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053736 (5,5-Dimethyl-3-{4-[4-(3-trifluoromethyl-phenyl)-pi...) Show SMILES CC1(C)SCN(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C20H28F3N3OS/c1-19(2)18(27)26(15-28-19)9-4-3-8-24-10-12-25(13-11-24)17-7-5-6-16(14-17)20(21,22)23/h5-7,14H,3-4,8-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053714 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H30N4OS2/c1-16-25(20(26)21(2,3)27-16)11-7-6-10-23-12-14-24(15-13-23)19-17-8-4-5-9-18(17)28-22-19/h4-5,8-9,16H,6-7,10-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053738 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)SCC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C20H28N4OS2/c1-20(2)24(18(25)15-26-20)10-6-5-9-22-11-13-23(14-12-22)19-16-7-3-4-8-17(16)27-21-19/h3-4,7-8H,5-6,9-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053724 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O Show InChI InChI=1S/C20H28N4OS2/c1-20(2)19(25)24(15-26-20)10-6-5-9-22-11-13-23(14-12-22)18-16-7-3-4-8-17(16)27-21-18/h3-4,7-8H,5-6,9-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50053691 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053731 (2,2-Dimethyl-3-{4-[4-(3-methylsulfanyl-phenyl)-pip...) Show SMILES CSc1cccc(c1)N1CCN(CCCCN2C(=O)CSC2(C)C)CC1 Show InChI InChI=1S/C20H31N3OS2/c1-20(2)23(19(24)16-26-20)10-5-4-9-21-11-13-22(14-12-21)17-7-6-8-18(15-17)25-3/h6-8,15H,4-5,9-14,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053721 (3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2...) Show SMILES CC1SCC(=O)N1CCCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C18H26ClN3OS/c1-15-22(18(23)14-24-15)8-3-2-7-20-9-11-21(12-10-20)17-6-4-5-16(19)13-17/h4-6,13,15H,2-3,7-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053745 (3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CSC2(C)C)CC1 Show InChI InChI=1S/C20H31N3O2S/c1-20(2)23(19(24)16-26-20)11-7-6-10-21-12-14-22(15-13-21)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053705 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CSCN1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C18H24N4OS2/c23-17-13-24-14-22(17)8-4-3-7-20-9-11-21(12-10-20)18-15-5-1-2-6-16(15)25-19-18/h1-2,5-6H,3-4,7-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053748 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O Show InChI InChI=1S/C19H26N4OS2/c1-15-19(24)23(14-25-15)9-5-4-8-21-10-12-22(13-11-21)18-16-6-2-3-7-17(16)26-20-18/h2-3,6-7,15H,4-5,8-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053741 (3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1 Show InChI InChI=1S/C20H31N3O2S/c1-20(2)19(24)23(16-26-20)11-7-6-10-21-12-14-22(15-13-21)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053749 (5,5-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl...) Show SMILES Cc1cccc(c1)N1CCN(CCCCN2CSC(C)(C)C2=O)CC1 Show InChI InChI=1S/C20H31N3OS/c1-17-7-6-8-18(15-17)22-13-11-21(12-14-22)9-4-5-10-23-16-25-20(2,3)19(23)24/h6-8,15H,4-5,9-14,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053689 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC(C)(O)C1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O Show InChI InChI=1S/C21H30N4O2S2/c1-21(2,27)18-20(26)25(15-28-18)10-6-5-9-23-11-13-24(14-12-23)19-16-7-3-4-8-17(16)29-22-19/h3-4,7-8,18,27H,5-6,9-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053733 (5,5-Dimethyl-3-[4-(4-o-tolyl-piperazin-1-yl)-butyl...) Show SMILES Cc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1 Show InChI InChI=1S/C20H31N3OS/c1-17-8-4-5-9-18(17)22-14-12-21(13-15-22)10-6-7-11-23-16-25-20(2,3)19(23)24/h4-5,8-9H,6-7,10-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50053708 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1(C)SCN(CCCCN2CCN(CC2)c2csc3cc(F)ccc23)C1=O Show InChI InChI=1S/C21H28FN3OS2/c1-21(2)20(26)25(15-28-21)8-4-3-7-23-9-11-24(12-10-23)18-14-27-19-13-16(22)5-6-17(18)19/h5-6,13-14H,3-4,7-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50053694 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCC1 Show InChI InChI=1S/C22H30N4OS2/c27-21-22(9-3-4-10-22)28-17-26(21)12-6-5-11-24-13-15-25(16-14-24)20-18-7-1-2-8-19(18)29-23-20/h1-2,7-8H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053742 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H32N4OS2/c1-21(2)20(27)26(22(3,4)29-21)12-8-7-11-24-13-15-25(16-14-24)19-17-9-5-6-10-18(17)28-23-19/h5-6,9-10H,7-8,11-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053734 (3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1 Show InChI InChI=1S/C22H35N3O2S/c1-21(2)20(26)25(22(3,4)28-21)13-9-8-12-23-14-16-24(17-15-23)18-10-6-7-11-19(18)27-5/h6-7,10-11H,8-9,12-17H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50053702 (3-(4-{4-[1-(4-Fluoro-phenyl)-1H-indol-3-yl]-pipera...) Show SMILES Fc1ccc(cc1)-n1cc(N2CCN(CCCCN3CSC4(CCCCC4)C3=O)CC2)c2ccccc12 Show InChI InChI=1S/C30H37FN4OS/c31-24-10-12-25(13-11-24)35-22-28(26-8-2-3-9-27(26)35)33-20-18-32(19-21-33)16-6-7-17-34-23-37-30(29(34)36)14-4-1-5-15-30/h2-3,8-13,22H,1,4-7,14-21,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053696 (3-{4-[4-(2-Chloro-phenyl)-piperazin-1-yl]-butyl}-t...) Show SMILES Clc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1 Show InChI InChI=1S/C17H24ClN3OS/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)7-3-4-8-21-14-23-13-17(21)22/h1-2,5-6H,3-4,7-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053744 (2,2-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl...) Show SMILES Cc1cccc(c1)N1CCN(CCCCN2C(=O)CSC2(C)C)CC1 Show InChI InChI=1S/C20H31N3OS/c1-17-7-6-8-18(15-17)22-13-11-21(12-14-22)9-4-5-10-23-19(24)16-25-20(23,2)3/h6-8,15H,4-5,9-14,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50053700 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCCC1 Show InChI InChI=1S/C23H32N4OS2/c28-22-23(10-4-1-5-11-23)29-18-27(22)13-7-6-12-25-14-16-26(17-15-25)21-19-8-2-3-9-20(19)30-24-21/h2-3,8-9H,1,4-7,10-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50053689 (3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC(C)(O)C1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O Show InChI InChI=1S/C21H30N4O2S2/c1-21(2,27)18-20(26)25(15-28-18)10-6-5-9-23-11-13-24(14-12-23)19-16-7-3-4-8-17(16)29-22-19/h3-4,7-8,18,27H,5-6,9-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053727 (3-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CSCC2=O)CC1 Show InChI InChI=1S/C18H24F3N3OS/c19-18(20,21)15-4-3-5-16(12-15)23-10-8-22(9-11-23)6-1-2-7-24-14-26-13-17(24)25/h3-5,12H,1-2,6-11,13-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053712 (2,2,5,5-Tetramethyl-3-[4-(4-m-tolyl-piperazin-1-yl...) Show SMILES Cc1cccc(c1)N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1 Show InChI InChI=1S/C22H35N3OS/c1-18-9-8-10-19(17-18)24-15-13-23(14-16-24)11-6-7-12-25-20(26)21(2,3)27-22(25,4)5/h8-10,17H,6-7,11-16H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50053725 (3'-[4-(4-benzo[d]isothiazol-3-ylhexahydro-1-pyrazi...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11Cc2ccccc2C1 Show InChI InChI=1S/C26H30N4OS2/c31-25-26(17-20-7-1-2-8-21(20)18-26)32-19-30(25)12-6-5-11-28-13-15-29(16-14-28)24-22-9-3-4-10-23(22)33-27-24/h1-4,7-10H,5-6,11-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair

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