Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'rees' and Initial = 'a'   

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 (RAT)	BDBM50051562 (1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50051561 (1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM85067 (CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...) Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50040245 (8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...) Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 |t:8| Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50026847 (1-[2-(6,7-Dimethoxy-isochroman-1-yl)-ethyl]-4-(4-f...) Show SMILES COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C23H29FN2O3/c1-27-22-15-17-8-14-29-21(20(17)16-23(22)28-2)7-9-25-10-12-26(13-11-25)19-5-3-18(24)4-6-19/h3-6,15-16,21H,7-14H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50051564 (1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50026847 (1-[2-(6,7-Dimethoxy-isochroman-1-yl)-ethyl]-4-(4-f...) Show SMILES COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C23H29FN2O3/c1-27-22-15-17-8-14-29-21(20(17)16-23(22)28-2)7-9-25-10-12-26(13-11-25)19-5-3-18(24)4-6-19/h3-6,15-16,21H,7-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-YM-09151 towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (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	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-YM-09151 towards cloned mammalian Dopamine receptor D2 expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50026847 (1-[2-(6,7-Dimethoxy-isochroman-1-yl)-ethyl]-4-(4-f...) Show SMILES COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C23H29FN2O3/c1-27-22-15-17-8-14-29-21(20(17)16-23(22)28-2)7-9-25-10-12-26(13-11-25)19-5-3-18(24)4-6-19/h3-6,15-16,21H,7-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85067 (CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...) Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D2 expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D2 expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM85067 (CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...) Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (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	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051564 (1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM85067 (CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...) Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50040245 (8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...) Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 |t:8| Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026847 (1-[2-(6,7-Dimethoxy-isochroman-1-yl)-ethyl]-4-(4-f...) Show SMILES COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C23H29FN2O3/c1-27-22-15-17-8-14-29-21(20(17)16-23(22)28-2)7-9-25-10-12-26(13-11-25)19-5-3-18(24)4-6-19/h3-6,15-16,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM85067 (CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...) Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051561 (1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50040245 (8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...) Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12 |t:8| Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051561 (1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051562 (1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051562 (1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051562 (1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051561 (1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051564 (1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051564 (1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50051562 (1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50051564 (1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50051561 (1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.				J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50394015 (CHEMBL2158468) Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.9,-44.89,;.56,-45.66,;-.77,-44.89,;-.77,-43.35,;-2.11,-42.59,;-3.45,-43.36,;-4.78,-42.59,;-4.78,-41.04,;-3.45,-40.27,;-2.11,-41.04,;-.78,-40.26,;-.79,-38.72,;.55,-41.03,;1.88,-40.25,;3.05,-38.95,;4.39,-39.41,;5.78,-39.04,;4.79,-40.33,;3.37,-39.8,;3.34,-38.2,;4.35,-36.96,;4.34,-35.41,;5.76,-37.51,;3.01,-37.46,;-6.11,-43.36,;-7.45,-42.59,;-6.12,-44.9,)| Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by HTRF assay				Bioorg Med Chem Lett 22: 6756-61 (2012) Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50392216 (CHEMBL2153191 | US8673938, 7) Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting method				J Med Chem 55: 10136-47 (2012) Article DOI: 10.1021/jm301252n BindingDB Entry DOI: 10.7270/Q2WM1FJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50399335 (CHEMBL2177609) Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting method				J Med Chem 55: 10136-47 (2012) Article DOI: 10.1021/jm301252n BindingDB Entry DOI: 10.7270/Q2WM1FJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50392216 (CHEMBL2153191 | US8673938, 7) Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of 11betaHSD1 in human isolated adipocytes using [3H]cortisone as substrate after 6 hrs by flow scintillation analysis				J Med Chem 55: 5951-64 (2012) Article DOI: 10.1021/jm300592r BindingDB Entry DOI: 10.7270/Q24F1RTK
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50399353 (CHEMBL2177615) Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:30:29:27:23.24.25,20:21:23.30.24:28.26.27,THB:30:24:21.29.28:27,20:21:27:23.24.25,25:24:21:28.26.27,25:26:21:23.30.24,(42.49,-16.8,;40.96,-16.96,;40.05,-15.71,;40.68,-14.31,;39.78,-13.06,;40.26,-11.6,;39.01,-10.69,;37.76,-11.6,;38.24,-13.06,;37.33,-14.3,;35.8,-14.13,;34.89,-15.38,;35.51,-16.79,;37.05,-16.94,;37.95,-15.7,;34.61,-18.03,;33.08,-17.87,;35.24,-19.44,;41.72,-11.12,;42.04,-9.62,;42.86,-12.15,;44.33,-11.68,;45.53,-10.4,;46.85,-10.89,;48.25,-10.55,;48.26,-9.02,;46.86,-8.44,;45.52,-8.92,;45.83,-9.67,;45.83,-11.26,;47.24,-11.82,)| Show InChI InChI=1S/C24H29N3O3S/c1-2-7-31-23-20(13-25-27(23)19-5-3-16(4-6-19)24(29)30)22(28)26-21-17-9-14-8-15(11-17)12-18(21)10-14/h3-6,13-15,17-18,21H,2,7-12H2,1H3,(H,26,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay				J Med Chem 55: 10136-47 (2012) Article DOI: 10.1021/jm301252n BindingDB Entry DOI: 10.7270/Q2WM1FJT
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50394013 (CHEMBL2158466) Show SMILES CCCSc1nc(NC)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(1.31,-29.92,;-.02,-30.69,;-1.35,-29.92,;-1.36,-28.38,;-2.69,-27.61,;-4.03,-28.39,;-5.36,-27.62,;-6.7,-28.38,;-8.03,-27.61,;-5.36,-26.07,;-4.03,-25.3,;-2.7,-26.06,;-1.37,-25.29,;-1.37,-23.75,;-.03,-26.05,;1.3,-25.28,;2.47,-23.97,;3.81,-24.44,;5.19,-24.06,;4.2,-25.36,;2.79,-24.82,;2.75,-23.23,;3.77,-21.98,;3.76,-20.44,;5.18,-22.54,;2.43,-22.49,)| Show InChI InChI=1S/C20H29N3O2S/c1-3-6-26-19-15(4-5-16(21-2)22-19)18(24)23-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h4-5,12-14,17,25H,3,6-11H2,1-2H3,(H,21,22)(H,23,24)/t12?,13?,14?,17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by HTRF assay				Bioorg Med Chem Lett 22: 6756-61 (2012) Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G
					More data for this Ligand-Target Pair

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