Compile Data Set for Download or QSAR

Found 589 hits with Last Name = 'hadley' and Initial = 'ms'   

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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410424 (CHEMBL199088) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12 Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410426 (CHEMBL370852) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410428 (CHEMBL380812) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12 Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412114 (CHEMBL183460 | SB-649915) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410427 (CHEMBL194647) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12 Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410424 (CHEMBL199088) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12 Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410426 (CHEMBL370852) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50217138 (CHEMBL90433) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C27H34N4OS/c1-2-17-31(23-14-15-24-25(19-23)33-27(28)30-24)18-7-6-16-29-26(32)22-12-10-21(11-13-22)20-8-4-3-5-9-20/h3-5,8-13,23H,2,6-7,14-19H2,1H3,(H2,28,30)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells				Bioorg Med Chem Lett 9: 2715-20 (1999) BindingDB Entry DOI: 10.7270/Q23X88TZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50475428 (CHEMBL196848) Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccccc3C)c2cc1N1C[C@H](C)N(C)[C@H](C)C1 Show InChI InChI=1S/C30H35N3O2/c1-20-8-6-7-9-26(20)23-10-12-24(13-11-23)30(34)33-15-14-25-16-29(35-5)28(17-27(25)33)32-18-21(2)31(4)22(3)19-32/h6-13,16-17,21-22H,14-15,18-19H2,1-5H3/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 15: 4708-12 (2005) Article DOI: 10.1016/j.bmcl.2005.07.085 BindingDB Entry DOI: 10.7270/Q2CC13F8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410440 (CHEMBL198975) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12 Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410440 (CHEMBL198975) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12 Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410440 (CHEMBL198975) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12 Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410430 (CHEMBL372743) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12 Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410427 (CHEMBL194647) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12 Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410426 (CHEMBL370852) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410437 (CHEMBL370625) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12 Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474384 (CHEMBL2113364) Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1 |r,wU:15.13,wD:18.20,(23.3,.02,;-6.64,-.16,;-5.58,-.78,;-6.64,-1.39,;-5.57,.45,;-4.24,-1.55,;-2.91,-.78,;-2.91,.78,;-1.53,1.57,;,.78,;.8,1.73,;2.31,1.43,;3.02,,;4.56,.01,;5.33,1.34,;6.87,1.35,;7.63,2.69,;9.17,2.69,;9.95,1.36,;9.18,.02,;7.64,.02,;11.49,1.36,;12.26,.02,;11.64,-1.04,;13.8,.03,;14.57,-1.31,;16.11,-1.31,;16.88,.03,;18.42,.03,;19.19,-1.3,;20.42,-1.3,;18.43,-2.64,;16.89,-2.64,;2.29,-1.45,;.76,-1.7,;,-.78,;-1.53,-1.57,)| Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50217114 (CHEMBL91460) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H35N5O/c1-2-17-33(25-14-15-26-24(19-25)20-31-28(29)32-26)18-7-6-16-30-27(34)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,25H,2,6-7,14-19H2,1H3,(H,30,34)(H2,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells				Bioorg Med Chem Lett 9: 2715-20 (1999) BindingDB Entry DOI: 10.7270/Q23X88TZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410432 (CHEMBL197947) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12 Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410428 (CHEMBL380812) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12 Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410432 (CHEMBL197947) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12 Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132022 (Biphenyl-4-carboxylic acid [4-((4aS,10bS)-7-hydrox...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12 Show InChI InChI=1S/C30H34N2O2/c33-29-12-6-10-25-26-11-7-21-32(28(26)18-17-27(25)29)20-5-4-19-31-30(34)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-3,6,8-10,12-16,26,28,33H,4-5,7,11,17-21H2,(H,31,34)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.				Bioorg Med Chem Lett 8: 2859-64 (1998) BindingDB Entry DOI: 10.7270/Q2319Z1B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410430 (CHEMBL372743) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12 Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410427 (CHEMBL194647) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12 Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474398 (CHEMBL2368629) Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1 |r,wU:17.19,wD:14.12,(18.31,,;-11.73,1.48,;-10.96,.14,;-12.29,-.63,;-10.19,-1.19,;-9.62,.91,;-9.62,2.45,;-8.29,3.22,;-6.96,2.45,;-5.75,3.41,;-4.25,3.07,;-3.58,1.68,;-2.04,1.68,;-1.27,.35,;.27,.35,;1.04,-.98,;2.58,-.98,;3.35,.35,;2.58,1.68,;1.04,1.68,;4.89,.35,;5.66,-.98,;4.89,-2.32,;7.2,-.98,;7.97,-2.32,;9.51,-2.32,;10.28,-3.65,;11.82,-3.65,;12.59,-2.32,;14.13,-2.32,;11.82,-.98,;10.28,-.98,;-4.25,.3,;-5.75,-.05,;-6.96,.91,;-8.29,.14,)| Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474396 (CHEMBL2113356) Show SMILES Cl.COc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)cc1 |r,wU:12.10,wD:15.14,(24.07,.02,;21.35,-2.37,;20.73,-1.3,;19.19,-1.3,;18.42,.03,;16.88,.03,;16.11,-1.31,;14.57,-1.31,;13.8,.03,;12.26,.02,;11.64,-1.04,;11.49,1.36,;9.95,1.36,;9.18,.02,;7.64,.02,;6.87,1.35,;5.33,1.34,;4.56,.01,;3.02,,;2.31,1.43,;.8,1.73,;,.78,;-1.53,1.57,;-2.91,.78,;-2.91,-.78,;-4.24,-1.55,;-5.58,-.78,;-6.64,-.16,;-6.64,-1.39,;-5.57,.45,;-1.53,-1.57,;,-.78,;.76,-1.7,;2.29,-1.45,;7.63,2.69,;9.17,2.69,;16.89,-2.64,;18.43,-2.64,)| Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-27-11-5-22(6-12-27)7-14-29(32)30-26-9-3-23(4-10-26)15-18-31-19-16-24-8-13-28(36-37(2,33)34)21-25(24)17-20-31;/h5-8,11-14,21,23,26H,3-4,9-10,15-20H2,1-2H3,(H,30,32);1H/b14-7+;/t23-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410435 (CHEMBL191971 | SB-272183) Show SMILES CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12 Show InChI InChI=1S/C29H28ClN5O/c1-33-14-16-34(17-15-33)28-19-27-21(18-25(28)30)10-13-35(27)29(36)32-26-7-6-22(20-8-11-31-12-9-20)23-4-2-3-5-24(23)26/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 15: 4708-12 (2005) Article DOI: 10.1016/j.bmcl.2005.07.085 BindingDB Entry DOI: 10.7270/Q2CC13F8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50217144 (CHEMBL91433) Show SMILES [H][C@@]12CCCN(CCC)[C@@]1([H])Cc1cnc(N)nc1C2 Show InChI InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells				Bioorg Med Chem Lett 9: 2715-20 (1999) BindingDB Entry DOI: 10.7270/Q23X88TZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410436 (CHEMBL382078) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12 Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410434 (CHEMBL372651) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12 Show InChI InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410430 (CHEMBL372743) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12 Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50410428 (CHEMBL380812) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12 Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410429 (CHEMBL194809) Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12 Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-19-15-21-17(14-16(19)6-8-25-22)7-9-28(21)23(29)18-4-2-3-5-20(18)24/h2-6,8,14-15H,7,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474395 (CHEMBL2368626) Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1 |r,wU:14.12,wD:17.19,(16.9,,;-11.6,1.4,;-10.83,.07,;-12.16,-.7,;-10.06,-1.27,;-9.49,.84,;-9.49,2.38,;-8.16,3.15,;-6.83,2.38,;-5.62,3.34,;-4.12,3,;-3.45,1.61,;-1.91,1.61,;-1.14,.27,;.4,.27,;1.17,1.61,;2.71,1.61,;3.48,.27,;2.71,-1.06,;1.17,-1.06,;5.02,.27,;5.79,-1.06,;5.02,-2.39,;7.33,-1.06,;8.1,-2.39,;9.64,-2.39,;10.41,-3.73,;11.95,-3.73,;12.72,-2.39,;11.95,-1.06,;10.41,-1.06,;9.64,.27,;-4.12,.22,;-5.62,-.12,;-6.83,.84,;-8.16,.07,)| Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474403 (CHEMBL2368633) Show SMILES Cl.COc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1 |r,wU:17.17,wD:14.13,(17.12,,;8.32,.14,;9.86,.14,;10.63,-1.19,;12.17,-1.19,;12.94,-2.53,;12.17,-3.86,;10.63,-3.86,;9.86,-2.53,;8.32,-2.53,;7.55,-1.19,;6.01,-1.19,;5.24,-2.53,;5.24,.14,;3.7,.14,;2.93,1.47,;1.39,1.47,;.62,.14,;-.92,.14,;-1.69,1.47,;-3.23,1.47,;-3.9,2.86,;-5.4,3.2,;-6.61,2.24,;-7.94,3.01,;-9.27,2.24,;-9.27,.7,;-10.61,-.07,;-11.94,.7,;-11.17,2.04,;-13.28,1.47,;-12.71,-.63,;-7.94,-.07,;-6.61,.7,;-5.4,-.26,;-3.9,.09,;1.39,-1.19,;2.93,-1.19,)| Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-28-6-4-3-5-24(28)10-14-29(32)30-26-11-7-22(8-12-26)15-18-31-19-16-23-9-13-27(36-37(2,33)34)21-25(23)17-20-31;/h3-6,9-10,13-14,21-22,26H,7-8,11-12,15-20H2,1-2H3,(H,30,32);1H/b14-10+;/t22-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474406 (CHEMBL3084598) Show SMILES Cl.Cc1ccc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1 |r,wU:15.15,wD:18.19,(14.83,,;10.65,-6.18,;9.88,-4.85,;8.34,-4.85,;7.57,-3.51,;8.34,-2.18,;7.57,-.85,;8.34,.49,;9.88,.49,;10.65,-.85,;9.88,-2.18,;10.65,-3.51,;6.03,-.85,;5.26,-2.18,;5.26,.49,;3.72,.49,;2.95,-.85,;1.41,-.85,;.64,.49,;-.9,.49,;-1.67,1.82,;-3.21,1.82,;-3.88,3.21,;-5.38,3.55,;-6.58,2.59,;-7.92,3.36,;-9.25,2.59,;-9.25,1.05,;-10.58,.28,;-11.92,1.05,;-11.15,2.38,;-13.25,1.82,;-12.69,-.28,;-7.92,.28,;-6.58,1.05,;-5.38,.09,;-3.88,.43,;1.41,1.82,;2.95,1.82,)| Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-6-13-27-28(4-3-5-29(27)31-21)30(34)32-25-10-7-22(8-11-25)14-17-33-18-15-23-9-12-26(37-38(2,35)36)20-24(23)16-19-33;/h3-6,9,12-13,20,22,25H,7-8,10-11,14-19H2,1-2H3,(H,32,34);1H/t22-,25-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474399 (CHEMBL2368625) Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1 |r,wU:15.13,wD:18.20,(17.35,,;-10.94,2.04,;-11.71,.71,;-13.05,1.48,;-12.48,-.63,;-10.38,-.06,;-9.04,.71,;-9.04,2.25,;-7.71,3.02,;-6.38,2.25,;-5.17,3.21,;-3.67,2.87,;-3,1.48,;-1.46,1.48,;-.69,.14,;.85,.14,;1.62,1.48,;3.16,1.48,;3.93,.14,;3.16,-1.19,;1.62,-1.19,;5.47,.14,;6.24,-1.19,;5.47,-2.52,;7.78,-1.19,;8.55,-2.52,;10.09,-2.52,;10.86,-3.86,;12.4,-3.86,;13.17,-2.52,;12.4,-1.19,;10.86,-1.19,;10.09,.14,;-3.67,.09,;-5.17,-.25,;-6.38,.71,;-7.71,-.06,)| Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474389 (CHEMBL3084597) Show SMILES Cl.Cc1ncc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1 |r,wU:16.16,wD:19.20,(17.49,,;13.31,-5.65,;11.9,-5.02,;10.57,-5.79,;9.43,-4.76,;10.05,-3.36,;11.58,-3.52,;9.28,-2.02,;10.05,-.69,;9.28,.64,;7.74,.64,;6.97,-.69,;7.74,-2.02,;5.43,-.69,;4.66,-2.02,;4.66,.64,;3.12,.64,;2.35,-.69,;.81,-.69,;.04,.64,;-1.5,.64,;-2.27,1.98,;-3.81,1.98,;-4.48,3.37,;-5.98,3.71,;-7.18,2.75,;-8.52,3.52,;-9.85,2.75,;-9.85,1.21,;-11.18,.44,;-12.52,1.21,;-11.75,2.54,;-13.85,1.98,;-13.29,-.13,;-8.52,.44,;-7.18,1.21,;-5.98,.25,;-4.48,.59,;.81,1.98,;2.35,1.98,)| Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-31-20-29(37-21)25-4-3-5-26(18-25)30(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474983 (CHEMBL183034) Show SMILES O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1 Show InChI InChI=1S/C24H25N3O4/c28-24-16-31-23-7-6-18(13-21(23)26-24)30-15-17-8-10-27(14-17)11-12-29-22-5-1-4-20-19(22)3-2-9-25-20/h1-7,9,13,17H,8,10-12,14-16H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474976 (CHEMBL180557) Show SMILES O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1 Show InChI InChI=1S/C25H27N3O3/c29-25-17-31-24-7-6-19(16-22(24)27-25)15-18-8-11-28(12-9-18)13-14-30-23-5-1-4-21-20(23)3-2-10-26-21/h1-7,10,16,18H,8-9,11-15,17H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474412 (CHEMBL2368622) Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1 |r,wU:18.20,wD:15.13,(17.26,,;-11.03,.56,;-11.8,-.77,;-13.13,-0,;-12.57,-2.11,;-10.46,-1.54,;-9.13,-.77,;-9.13,.77,;-7.8,1.54,;-6.46,.77,;-5.26,1.73,;-3.76,1.38,;-3.09,-0,;-1.55,-0,;-.78,-1.34,;.76,-1.34,;1.53,-2.67,;3.07,-2.67,;3.84,-1.34,;3.07,-0,;1.53,-0,;5.38,-1.34,;6.15,-0,;5.38,1.33,;7.69,-0,;8.46,1.33,;10,1.33,;10.77,-0,;12.31,-0,;13.08,1.33,;12.31,2.66,;13.08,4,;10.77,2.66,;-3.76,-1.39,;-5.26,-1.73,;-6.46,-.77,;-7.8,-1.54,)| Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50410433 (CHEMBL426285) Show SMILES CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12 Show InChI InChI=1S/C30H31N7O/c1-3-27-26(20-33-37(27)24-7-5-21(19-31)6-8-24)30(38)36-12-10-23-17-22-9-11-32-29(25(22)18-28(23)36)35-15-13-34(4-2)14-16-35/h5-9,11,17-18,20H,3-4,10,12-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50410432 (CHEMBL197947) Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12 Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand				Bioorg Med Chem Lett 15: 4370-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.042 BindingDB Entry DOI: 10.7270/Q2319X3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50000027 (CHEMBL51977) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(Cl)cccc2C1 Show InChI InChI=1S/C30H35ClN2O/c1-2-20-33(27-17-18-28-26(22-27)11-8-12-29(28)31)21-7-6-19-32-30(34)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells				Bioorg Med Chem Lett 9: 179-84 (1999) BindingDB Entry DOI: 10.7270/Q2057J4D
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474393 (CHEMBL2368623) Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1 |r,wU:17.19,wD:14.12,(16.81,,;-11.68,-.12,;-10.91,-1.46,;-12.25,-2.23,;-10.14,-2.79,;-9.58,-.69,;-9.58,.85,;-8.25,1.62,;-6.91,.85,;-5.71,1.81,;-4.21,1.47,;-3.54,.08,;-2,.08,;-1.23,-1.25,;.31,-1.25,;1.08,-2.58,;2.62,-2.58,;3.39,-1.25,;2.62,.08,;1.08,.08,;4.93,-1.25,;5.7,.08,;4.93,1.42,;7.24,.08,;8.01,1.42,;9.55,1.42,;10.32,.08,;11.86,.08,;12.63,1.42,;11.86,2.75,;12.63,4.08,;10.32,2.75,;-4.21,-1.3,;-5.71,-1.65,;-6.91,-.69,;-8.25,-1.46,)| Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand				J Med Chem 46: 4952-64 (2003) Article DOI: 10.1021/jm030817d BindingDB Entry DOI: 10.7270/Q2TT4TPR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 589 total )  |  Next  |  Last  >>

Jump to: