Compile Data Set for Download or QSAR

Found 1799 hits with Last Name = 'taylor' and Initial = 'r'   

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))	BDBM50271131 (CHEMBL374973 | N1,N13-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271019 (4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324835 ((R)-4-hydroxy-7-(1-hydroxy-2-(3-(methyl(phenyl)ami...) Show SMILES CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 |r| Show InChI InChI=1S/C19H23N3O3S/c1-22(13-6-3-2-4-7-13)11-5-10-20-12-16(24)14-8-9-15(23)17-18(14)26-19(25)21-17/h2-4,6-9,16,20,23-24H,5,10-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055260 (CHEMBL3323658) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324847 ((R)-4-hydroxy-7-(1-hydroxy-2-(2-methyl-1-phenylpro...) Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23)13-8-9-14(22)16-17(13)25-18(24)21-16/h3-9,15,20,22-23H,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271132 (CHEMBL502138 | N1,N14-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C42H60N6O2/c1-47-23-19-31(20-24-47)37-29-43-39-17-15-33(27-35(37)39)45-41(49)13-11-9-7-5-3-4-6-8-10-12-14-42(50)46-34-16-18-40-36(28-34)38(30-44-40)32-21-25-48(2)26-22-32/h15-18,27-32,43-44H,3-14,19-26H2,1-2H3,(H,45,49)(H,46,50)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324854 (7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271133 (CHEMBL500284 | N1,N15-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271018 (4-fluoro-N-(3-{1-[6-(4-{5-[(4-fluorobenzene)amido]...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C46H50F2N6O2/c47-35-9-5-33(6-10-35)45(55)51-37-13-15-43-39(27-37)41(29-49-43)31-17-23-53(24-18-31)21-3-1-2-4-22-54-25-19-32(20-26-54)42-30-50-44-16-14-38(28-40(42)44)52-46(56)34-7-11-36(48)12-8-34/h5-16,27-32,49-50H,1-4,17-26H2,(H,51,55)(H,52,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055263 (CHEMBL3323654) Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324856 (7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50069315 (C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12 Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271127 (CHEMBL444404 | N1,N5-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271129 (CHEMBL452387 | N1,N10-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C38H52N6O2/c1-43-19-15-27(16-20-43)33-25-39-35-13-11-29(23-31(33)35)41-37(45)9-7-5-3-4-6-8-10-38(46)42-30-12-14-36-32(24-30)34(26-40-36)28-17-21-44(2)22-18-28/h11-14,23-28,39-40H,3-10,15-22H2,1-2H3,(H,41,45)(H,42,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055260 (CHEMBL3323658) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324856 (7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324857 (7-((R)-2-((trans)-bi(cyclopentan)-2-ylamino)-1-hyd...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271134 (CHEMBL500488 | N1,N16-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C44H64N6O2/c1-49-25-21-33(22-26-49)39-31-45-41-19-17-35(29-37(39)41)47-43(51)15-13-11-9-7-5-3-4-6-8-10-12-14-16-44(52)48-36-18-20-42-38(30-36)40(32-46-42)34-23-27-50(2)28-24-34/h17-20,29-34,45-46H,3-16,21-28H2,1-2H3,(H,47,51)(H,48,52)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50069315 (C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12 Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271128 (CHEMBL448902 | N1,N8-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C36H48N6O2/c1-41-17-13-25(14-18-41)31-23-37-33-11-9-27(21-29(31)33)39-35(43)7-5-3-4-6-8-36(44)40-28-10-12-34-30(22-28)32(24-38-34)26-15-19-42(2)20-16-26/h9-12,21-26,37-38H,3-8,13-20H2,1-2H3,(H,39,43)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50507371 (BMS-823778) Show SMILES CC(C)(O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...				ACS Med Chem Lett 9: 1170-1174 (2018) Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271130 (CHEMBL446745 | N1,N11-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C39H54N6O2/c1-44-20-16-28(17-21-44)34-26-40-36-14-12-30(24-32(34)36)42-38(46)10-8-6-4-3-5-7-9-11-39(47)43-31-13-15-37-33(25-31)35(27-41-37)29-18-22-45(2)23-19-29/h12-15,24-29,40-41H,3-11,16-23H2,1-2H3,(H,42,46)(H,43,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50324854 (7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta-1 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r| Show InChI InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271127 (CHEMBL444404 | N1,N5-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271129 (CHEMBL452387 | N1,N10-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C38H52N6O2/c1-43-19-15-27(16-20-43)33-25-39-35-13-11-29(23-31(33)35)41-37(45)9-7-5-3-4-6-8-10-38(46)42-30-12-14-36-32(24-30)34(26-40-36)28-17-21-44(2)22-18-28/h11-14,23-28,39-40H,3-10,15-22H2,1-2H3,(H,41,45)(H,42,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470598 (CHEMBL126050) Show SMILES Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O2/c1-18-2-4-19(5-3-18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-20-15-27-23-7-6-21(26)14-22(20)23/h2-7,14-15,27H,8-13,16-17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt 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
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324840 (7-((R)-2-((R)-1-cyclohexylethylamino)-1-hydroxyeth...) Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 |r| Show InChI InChI=1S/C17H24N2O3S/c1-10(11-5-3-2-4-6-11)18-9-14(21)12-7-8-13(20)15-16(12)23-17(22)19-15/h7-8,10-11,14,18,20-21H,2-6,9H2,1H3,(H,19,22)/t10-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271020 (4-fluoro-N-(3-{1-[9-(4-{5-[(4-fluorobenzene)amido]...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C49H56F2N6O2/c50-38-12-8-36(9-13-38)48(58)54-40-16-18-46-42(30-40)44(32-52-46)34-20-26-56(27-21-34)24-6-4-2-1-3-5-7-25-57-28-22-35(23-29-57)45-33-53-47-19-17-41(31-43(45)47)55-49(59)37-10-14-39(51)15-11-37/h8-19,30-35,52-53H,1-7,20-29H2,(H,54,58)(H,55,59)	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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50040516 (3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6](-[#8]-[#6](=[#6]-[#6]-1\[#7+]=[#6](\[#7])-[#7])-[#6](-[#8-])=O)-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] |c:7| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324846 ((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...) Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271130 (CHEMBL446745 | N1,N11-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C39H54N6O2/c1-44-20-16-28(17-21-44)34-26-40-36-14-12-30(24-32(34)36)42-38(46)10-8-6-4-3-5-7-9-11-39(47)43-31-13-15-37-33(25-31)35(27-41-37)29-18-22-45(2)23-19-29/h12-15,24-29,40-41H,3-11,16-23H2,1-2H3,(H,42,46)(H,43,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470604 (CHEMBL338825) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30)	PDB Reactome pathway UniProtKB/SwissProt 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
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271128 (CHEMBL448902 | N1,N8-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C36H48N6O2/c1-41-17-13-25(14-18-41)31-23-37-33-11-9-27(21-29(31)33)39-35(43)7-5-3-4-6-8-36(44)40-28-10-12-34-30(22-28)32(24-38-34)26-15-19-42(2)20-16-26/h9-12,21-26,37-38H,3-8,13-20H2,1-2H3,(H,39,43)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470590 (CHEMBL341357) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)C4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O/c26-21-6-7-23-22(14-21)20(16-27-23)8-11-28-12-9-25(10-13-28)15-24(30)29(18-25)17-19-4-2-1-3-5-19/h1-7,14,16,27H,8-13,15,17-18H2	PDB Reactome pathway UniProtKB/SwissProt 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
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB Reactome pathway UniProtKB/SwissProt 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
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271131 (CHEMBL374973 | N1,N13-bis(3-(1-methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50324851 (4-hydroxy-7-((R)-1-hydroxy-2-((R)-1-(naphthalen-2-...) Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta-1 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055245 (CHEMBL3323668) Show SMILES CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O3S/c1-2-3-5-14-6-4-7-15(12-14)10-11-22-13-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h4,6-9,12,18,22,24-25H,2-3,5,10-11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50324840 (7-((R)-2-((R)-1-cyclohexylethylamino)-1-hydroxyeth...) Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 |r| Show InChI InChI=1S/C17H24N2O3S/c1-10(11-5-3-2-4-6-11)18-9-14(21)12-7-8-13(20)15-16(12)23-17(22)19-15/h7-8,10-11,14,18,20-21H,2-6,9H2,1H3,(H,19,22)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta-1 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271024 (4-fluoro-N-{3-[1-(2-{2-[2-(4-{5-[(4-fluorobenzene)...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C46H50F2N6O4/c47-35-5-1-33(2-6-35)45(55)51-37-9-11-43-39(27-37)41(29-49-43)31-13-17-53(18-14-31)21-23-57-25-26-58-24-22-54-19-15-32(16-20-54)42-30-50-44-12-10-38(28-40(42)44)52-46(56)34-3-7-36(48)8-4-34/h1-12,27-32,49-50H,13-26H2,(H,51,55)(H,52,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair

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