Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'hall' and Initial = 'wr'   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051280 (CHEMBL544436 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES COc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H27BrN4O3S/c1-31-18-9-8-17(24)21(29)20(18)23(30)25-10-4-5-11-27-12-14-28(15-13-27)22-16-6-2-3-7-19(16)32-26-22/h2-3,6-9,29H,4-5,10-15H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051285 (CHEMBL542554 | {4-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-12-10-20(11-13-21)25(33)28-14-6-7-15-31-16-18-32(19-17-31)24-22-8-4-5-9-23(22)36-30-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051286 (CHEMBL544434 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25BrN4O3S/c23-16-7-8-17(28)19(20(16)29)22(30)24-9-3-4-10-26-11-13-27(14-12-26)21-15-5-1-2-6-18(15)31-25-21/h1-2,5-8,28-29H,3-4,9-14H2,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051277 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1N Show InChI InChI=1S/C23H29N5OS/c1-26(23(29)18-8-2-4-10-20(18)24)12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-25-22/h2-5,8-11H,6-7,12-17,24H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051257 (CHEMBL545607 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H28N4OS/c1-25(23(28)19-9-3-2-4-10-19)13-7-8-14-26-15-17-27(18-16-26)22-20-11-5-6-12-21(20)29-24-22/h2-6,9-12H,7-8,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051259 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1c(F)cccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-18-8-5-7-17(20(18)24)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051265 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1ccc(F)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051265 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1ccc(F)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051284 (2-Azido-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES [N-]=[N+]=Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25N7OS/c23-27-25-19-9-3-1-7-17(19)22(30)24-11-5-6-12-28-13-15-29(16-14-28)21-18-8-2-4-10-20(18)31-26-21/h1-4,7-10H,5-6,11-16H2,(H,24,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051273 (CHEMBL554954 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N6OS/c23-25-19-9-3-1-7-17(19)22(29)24-11-5-6-12-27-13-15-28(16-14-27)21-18-8-2-4-10-20(18)30-26-21/h1-4,7-10,25H,5-6,11-16,23H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85048 (CHEMBL537481 | Glaxo 1192U90) Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051252 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Cc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(21(17)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-18-8-2-3-10-20(18)30-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051252 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Cc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N Show InChI InChI=1S/C23H29N5OS/c1-17-7-6-9-19(21(17)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-18-8-2-3-10-20(18)30-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051246 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES COc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N Show InChI InChI=1S/C23H29N5O2S/c1-30-19-9-6-8-18(21(19)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-17-7-2-3-10-20(17)31-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051263 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cccc(F)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-17-7-5-8-18(24)20(17)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051283 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051266 ((R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...) Show SMILES CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051256 (CHEMBL556030 | {3-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-10-8-9-20(19-21)25(33)28-13-6-7-14-31-15-17-32(18-16-31)24-22-11-4-5-12-23(22)36-30-24/h4-5,8-12,19H,6-7,13-18H2,1-3H3,(H,28,33)(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051255 (CHEMBL539740 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H29N5OS/c1-24-20-10-4-2-8-18(20)23(29)25-12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-26-22/h2-5,8-11,24H,6-7,12-17H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051288 (2-Acetylamino-N-[4-(4-benzo[d]isothiazol-3-yl-pipe...) Show SMILES CC(=O)Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H29N5O2S/c1-18(30)26-21-10-4-2-8-19(21)24(31)25-12-6-7-13-28-14-16-29(17-15-28)23-20-9-3-5-11-22(20)32-27-23/h2-5,8-11H,6-7,12-17H2,1H3,(H,25,31)(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051247 (CHEMBL542310 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1 Show InChI InChI=1S/C22H26N4OS/c27-22(18-8-2-1-3-9-18)23-12-6-7-13-25-14-16-26(17-15-25)21-19-10-4-5-11-20(19)28-24-21/h1-5,8-11H,6-7,12-17H2,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051251 (CHEMBL542058 | {2-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CCOC(=O)Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C25H31N5O3S/c1-2-33-25(32)27-21-11-5-3-9-19(21)24(31)26-13-7-8-14-29-15-17-30(18-16-29)23-20-10-4-6-12-22(20)34-28-23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051281 ((S)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...) Show SMILES CC(C)[C@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051251 (CHEMBL542058 | {2-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CCOC(=O)Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C25H31N5O3S/c1-2-33-25(32)27-21-11-5-3-9-19(21)24(31)26-13-7-8-14-29-15-17-30(18-16-29)23-20-10-4-6-12-22(20)34-28-23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051253 (CHEMBL544908 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Oc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26N4O2S/c27-19-9-3-1-7-17(19)22(28)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)29-24-21/h1-4,7-10,27H,5-6,11-16H2,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051258 (CHEMBL553382 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12 Show InChI InChI=1S/C22H25N5O3S/c28-22(17-7-1-3-9-19(17)27(29)30)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)31-24-21/h1-4,7-10H,5-6,11-16H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051244 (3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H27N5OS/c23-18-7-5-6-17(16-18)22(28)24-10-3-4-11-26-12-14-27(15-13-26)21-19-8-1-2-9-20(19)29-25-21/h1-2,5-9,16H,3-4,10-15,23H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051246 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES COc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N Show InChI InChI=1S/C23H29N5O2S/c1-30-19-9-6-8-18(21(19)24)23(29)25-11-4-5-12-27-13-15-28(16-14-27)22-17-7-2-3-10-20(17)31-26-22/h2-3,6-10H,4-5,11-16,24H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051266 ((R)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...) Show SMILES CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051279 (CHEMBL537036 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES COc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H28N4O2S/c1-29-19-10-8-18(9-11-19)23(28)24-12-4-5-13-26-14-16-27(17-15-26)22-20-6-2-3-7-21(20)30-25-22/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051272 (CHEMBL538972 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H25F3N4OS/c24-23(25,26)18-9-7-17(8-10-18)22(31)27-11-3-4-12-29-13-15-30(16-14-29)21-19-5-1-2-6-20(19)32-28-21/h1-2,5-10H,3-4,11-16H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051249 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1ccc(Cl)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26ClN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051270 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES COc1ccc(N)c(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H29N5O2S/c1-30-17-8-9-20(24)19(16-17)23(29)25-10-4-5-11-27-12-14-28(15-13-27)22-18-6-2-3-7-21(18)31-26-22/h2-3,6-9,16H,4-5,10-15,24H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051255 (CHEMBL539740 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H29N5OS/c1-24-20-10-4-2-8-18(20)23(29)25-12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-26-22/h2-5,8-11,24H,6-7,12-17H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051264 (CHEMBL544206 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CCc1cc(Cl)c(O)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC Show InChI InChI=1S/C25H31ClN4O3S/c1-3-17-16-19(26)22(31)21(23(17)33-2)25(32)27-10-6-7-11-29-12-14-30(15-13-29)24-18-8-4-5-9-20(18)34-28-24/h4-5,8-9,16,31H,3,6-7,10-15H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051260 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(F)(F)F Show InChI InChI=1S/C23H26F3N5OS/c24-23(25,26)16-7-8-17(19(27)15-16)22(32)28-9-3-4-10-30-11-13-31(14-12-30)21-18-5-1-2-6-20(18)33-29-21/h1-2,5-8,15H,3-4,9-14,27H2,(H,28,32)	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
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051256 (CHEMBL556030 | {3-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-10-8-9-20(19-21)25(33)28-13-6-7-14-31-15-17-32(18-16-31)24-22-11-4-5-12-23(22)36-30-24/h4-5,8-12,19H,6-7,13-18H2,1-3H3,(H,28,33)(H,29,34)	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
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051253 (CHEMBL544908 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Oc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26N4O2S/c27-19-9-3-1-7-17(19)22(28)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)29-24-21/h1-4,7-10,27H,5-6,11-16H2,(H,23,28)	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
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051262 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1ccc(cc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12)[N+]([O-])=O Show InChI InChI=1S/C22H26N6O3S/c23-19-8-7-16(28(30)31)15-18(19)22(29)24-9-3-4-10-26-11-13-27(14-12-26)21-17-5-1-2-6-20(17)32-25-21/h1-2,5-8,15H,3-4,9-14,23H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051259 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1c(F)cccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-18-8-5-7-17(20(18)24)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051249 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1ccc(Cl)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26ClN5OS/c23-16-7-8-19(24)18(15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-17-5-1-2-6-20(17)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051250 (CHEMBL545144 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES COc1ccc(Br)c(OC)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H29BrN4O3S/c1-31-19-10-9-18(25)22(32-2)21(19)24(30)26-11-5-6-12-28-13-15-29(16-14-28)23-17-7-3-4-8-20(17)33-27-23/h3-4,7-10H,5-6,11-16H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051258 (CHEMBL553382 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12 Show InChI InChI=1S/C22H25N5O3S/c28-22(17-7-1-3-9-19(17)27(29)30)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)31-24-21/h1-4,7-10H,5-6,11-16H2,(H,23,28)	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
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051285 (CHEMBL542554 | {4-[4-(4-Benzo[d]isothiazol-3-yl-pi...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-21-12-10-20(11-13-21)25(33)28-14-6-7-15-31-16-18-32(19-17-31)24-22-8-4-5-9-23(22)36-30-24/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,28,33)(H,29,34)	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
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051283 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051263 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cccc(F)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-17-7-5-8-18(24)20(17)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21/h1-2,5-9H,3-4,10-15,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051282 (CHEMBL545373 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Clc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25ClN4OS/c23-18-9-7-17(8-10-18)22(28)24-11-3-4-12-26-13-15-27(16-14-26)21-19-5-1-2-6-20(19)29-25-21/h1-2,5-10H,3-4,11-16H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051257 (CHEMBL545607 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H28N4OS/c1-25(23(28)19-9-3-2-4-10-19)13-7-8-14-26-15-17-27(18-16-26)22-20-11-5-6-12-21(20)29-24-22/h2-6,9-12H,7-8,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051260 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(F)(F)F Show InChI InChI=1S/C23H26F3N5OS/c24-23(25,26)16-7-8-17(19(27)15-16)22(32)28-9-3-4-10-30-11-13-31(14-12-30)21-18-5-1-2-6-20(18)33-29-21/h1-2,5-8,15H,3-4,9-14,27H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051284 (2-Azido-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES [N-]=[N+]=Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25N7OS/c23-27-25-19-9-3-1-7-17(19)22(30)24-11-5-6-12-28-13-15-29(16-14-28)21-18-8-2-4-10-20(18)31-26-21/h1-4,7-10H,5-6,11-16H2,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair

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