Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50026501   

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))	BDBM84636 (CHEMBL27559 | NPA-11-OH-R,(+)) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251470 (CHEMBL480149 | R(-)2-(2-hydroxyethoxy)-11-hydroxy-...) Show SMILES CCCN1CCc2cc(OCCO)cc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C21H25NO3/c1-2-7-22-8-6-15-11-16(25-10-9-23)13-17-20(15)18(22)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,23-24H,2,6-10,12H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251444 ((R)-6-Methyl-11-propoxy-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES CCCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r| Show InChI InChI=1S/C20H23NO2/c1-3-9-23-18-6-4-5-13-11-17-19-14(7-8-21(17)2)10-15(22)12-16(19)20(13)18/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251442 ((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r| Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50251445 ((R)-11-(2-Hydroxy-ethoxy)-6-methyl-5,6,6a,7-tetrah...) Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r| Show InChI InChI=1S/C19H21NO3/c1-20-6-5-13-9-14(22)11-15-18(13)16(20)10-12-3-2-4-17(19(12)15)23-8-7-21/h2-4,9,11,16,21-22H,5-8,10H2,1H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50251443 ((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r| Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251443 ((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r| Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	641	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM84636 (CHEMBL27559 | NPA-11-OH-R,(+)) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	699	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251441 ((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r| Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	731	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251441 ((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r| Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1	PDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50251442 ((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r| Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251444 ((R)-6-Methyl-11-propoxy-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES CCCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r| Show InChI InChI=1S/C20H23NO2/c1-3-9-23-18-6-4-5-13-11-17-19-14(7-8-21(17)2)10-15(22)12-16(19)20(13)18/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50251441 ((R)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r| Show InChI InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50251445 ((R)-11-(2-Hydroxy-ethoxy)-6-methyl-5,6,6a,7-tetrah...) Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r| Show InChI InChI=1S/C19H21NO3/c1-20-6-5-13-9-14(22)11-15-18(13)16(20)10-12-3-2-4-17(19(12)15)23-8-7-21/h2-4,9,11,16,21-22H,5-8,10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251443 ((R)-11-Ethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r| Show InChI InChI=1S/C19H21NO2/c1-3-22-17-6-4-5-12-10-16-18-13(7-8-20(16)2)9-14(21)11-15(18)19(12)17/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251445 ((R)-11-(2-Hydroxy-ethoxy)-6-methyl-5,6,6a,7-tetrah...) Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r| Show InChI InChI=1S/C19H21NO3/c1-20-6-5-13-9-14(22)11-15-18(13)16(20)10-12-3-2-4-17(19(12)15)23-8-7-21/h2-4,9,11,16,21-22H,5-8,10H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251470 (CHEMBL480149 | R(-)2-(2-hydroxyethoxy)-11-hydroxy-...) Show SMILES CCCN1CCc2cc(OCCO)cc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C21H25NO3/c1-2-7-22-8-6-15-11-16(25-10-9-23)13-17-20(15)18(22)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,23-24H,2,6-10,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50251442 ((R)-2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r| Show InChI InChI=1S/C20H23NO/c1-3-9-21-10-8-15-11-16(22-2)13-18-17-7-5-4-6-14(17)12-19(21)20(15)18/h4-7,11,13,19H,3,8-10,12H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum				Bioorg Med Chem Lett 18: 3971-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.016 BindingDB Entry DOI: 10.7270/Q2S46RRC
					More data for this Ligand-Target Pair