Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with all data for entry = 50026213   

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))	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 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 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
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
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
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))	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))	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))	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
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))	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))	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
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
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
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
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
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
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
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
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 1F (Homo sapiens (Human))	BDBM50130461 (4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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 at human 5HT1F 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
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
5-hydroxytryptamine receptor 1D (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	1.70	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))	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	2.30	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 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))	BDBM50271126 (CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271025 (4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenze...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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))	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	9.10	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))	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	11	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))	BDBM50271021 (4-fluoro-N-(3-{1-[10-(4-{5-[(4-fluorobenzene)amido...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C50H58F2N6O2/c51-39-13-9-37(10-14-39)49(59)55-41-17-19-47-43(31-41)45(33-53-47)35-21-27-57(28-22-35)25-7-5-3-1-2-4-6-8-26-58-29-23-36(24-30-58)46-34-54-48-20-18-42(32-44(46)48)56-50(60)38-11-15-40(52)16-12-38/h9-20,31-36,53-54H,1-8,21-30H2,(H,55,59)(H,56,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50271022 (4-fluoro-N-(3-{1-[11-(4-{5-[(4-fluorobenzene)amido...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C51H60F2N6O2/c52-40-14-10-38(11-15-40)50(60)56-42-18-20-48-44(32-42)46(34-54-48)36-22-28-58(29-23-36)26-8-6-4-2-1-3-5-7-9-27-59-30-24-37(25-31-59)47-35-55-49-21-19-43(33-45(47)49)57-51(61)39-12-16-41(53)17-13-39/h10-21,32-37,54-55H,1-9,22-31H2,(H,56,60)(H,57,61)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50271023 (4-fluoro-N-(3-{1-[12-(4-{5-[(4-fluorobenzene)amido...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C52H62F2N6O2/c53-41-15-11-39(12-16-41)51(61)57-43-19-21-49-45(33-43)47(35-55-49)37-23-29-59(30-24-37)27-9-7-5-3-1-2-4-6-8-10-28-60-31-25-38(26-32-60)48-36-56-50-22-20-44(34-46(48)50)58-52(62)40-13-17-42(54)18-14-40/h11-22,33-38,55-56H,1-10,23-32H2,(H,57,61)(H,58,62)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50271126 (CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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))	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	18	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 1A (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271061 (4-fluoro-N-(3-{1-[(2E)-4-(4-{5-[(4-fluorobenzene)a...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(C\C=C\CN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C44H44F2N6O2/c45-33-7-3-31(4-8-33)43(53)49-35-11-13-41-37(25-35)39(27-47-41)29-15-21-51(22-16-29)19-1-2-20-52-23-17-30(18-24-52)40-28-48-42-14-12-36(26-38(40)42)50-44(54)32-5-9-34(46)10-6-32/h1-14,25-30,47-48H,15-24H2,(H,49,53)(H,50,54)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM50271025 (4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenze...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50271021 (4-fluoro-N-(3-{1-[10-(4-{5-[(4-fluorobenzene)amido...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C50H58F2N6O2/c51-39-13-9-37(10-14-39)49(59)55-41-17-19-47-43(31-41)45(33-53-47)35-21-27-57(28-22-35)25-7-5-3-1-2-4-6-8-26-58-29-23-36(24-30-58)46-34-54-48-20-18-42(32-44(46)48)56-50(60)38-11-15-40(52)16-12-38/h9-20,31-36,53-54H,1-8,21-30H2,(H,55,59)(H,56,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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))	BDBM50271135 (5-amino-3-(N-methylpiperidin-4-yl)-1H-indole | CHE...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(N)cc12 Show InChI InChI=1S/C14H19N3/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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
5-hydroxytryptamine receptor 1B (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	79	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))	BDBM50271017 (4-fluoro-N-(3-{1-[3-(4-{5-[(4-fluorobenzene)amido]...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1 Show InChI InChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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))	BDBM50130461 (4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	83	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))	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	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

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