Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50014204   

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 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 PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139503 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4O/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139505 (4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-ind...) Show SMILES COc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C27H32N4OS/c1-32-24-7-4-21(5-8-24)27(33)29-31-16-11-20(12-17-31)22-6-9-26-25(18-22)23(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139513 (4-Methyl-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Cc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C27H32N4S/c1-20-4-6-22(7-5-20)27(32)29-31-16-11-21(12-17-31)23-8-9-26-25(18-23)24(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					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 PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139502 (4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-ind...) Show SMILES COc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C27H32N4O2/c1-33-24-7-4-21(5-8-24)27(32)29-31-16-11-20(12-17-31)22-6-9-26-25(18-22)23(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50133460 (CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1 |t:16| Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139504 (4-Methyl-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Cc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)27(32)29-31-16-11-21(12-17-31)23-8-9-26-25(18-23)24(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139519 (CHEMBL163151 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C26H30N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139514 (CHEMBL423789 | Naphthalene-1-carboxylic acid {4-[3...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C30H32N4O/c35-30(27-9-5-7-23-6-1-2-8-26(23)27)32-34-18-13-22(14-19-34)24-10-11-29-28(20-24)25(21-31-29)12-17-33-15-3-4-16-33/h1-2,5-11,13,20-21,31H,3-4,12,14-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139510 (5-[1-(4-Chloro-benzenesulfonyl)-1,2,3,6-tetrahydro...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C25H28ClN3O2S/c26-22-4-6-23(7-5-22)32(30,31)29-15-10-19(11-16-29)20-3-8-25-24(17-20)21(18-27-25)9-14-28-12-1-2-13-28/h3-8,10,17-18,27H,1-2,9,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139517 (CHEMBL352181 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139506 (5-[1-(4-Methoxy-benzenesulfonyl)-1,2,3,6-tetrahydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C26H31N3O3S/c1-32-23-5-7-24(8-6-23)33(30,31)29-16-11-20(12-17-29)21-4-9-26-25(18-21)22(19-27-26)10-15-28-13-2-3-14-28/h4-9,11,18-19,27H,2-3,10,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139518 (CHEMBL348756 | Cyclohexanecarbothioic acid {4-[3-(...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6| Show InChI InChI=1S/C26H36N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139512 (3-(2-Pyrrolidin-1-yl-ethyl)-5-[1-(toluene-4-sulfon...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H31N3O2S/c1-20-4-7-24(8-5-20)32(30,31)29-16-11-21(12-17-29)22-6-9-26-25(18-22)23(19-27-26)10-15-28-13-2-3-14-28/h4-9,11,18-19,27H,2-3,10,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139520 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4S/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139516 (CHEMBL161894 | Naphthalene-1-carbothioic acid {4-[...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C30H32N4S/c35-30(27-9-5-7-23-6-1-2-8-26(23)27)32-34-18-13-22(14-19-34)24-10-11-29-28(20-24)25(21-31-29)12-17-33-15-3-4-16-33/h1-2,5-11,13,20-21,31H,3-4,12,14-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139508 (5-(1-Benzenesulfonyl-1,2,3,6-tetrahydro-pyridin-4-...) Show SMILES O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C25H29N3O2S/c29-31(30,23-6-2-1-3-7-23)28-16-11-20(12-17-28)21-8-9-25-24(18-21)22(19-26-25)10-15-27-13-4-5-14-27/h1-3,6-9,11,18-19,26H,4-5,10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139507 (5-[1-(Naphthalene-1-sulfonyl)-1,2,3,6-tetrahydro-p...) Show SMILES O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C29H31N3O2S/c33-35(34,29-9-5-7-23-6-1-2-8-26(23)29)32-18-13-22(14-19-32)24-10-11-28-27(20-24)25(21-30-28)12-17-31-15-3-4-16-31/h1-2,5-11,13,20-21,30H,3-4,12,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139515 (Adamantane-1-carboxylic acid {4-[3-(2-pyrrolidin-1...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32| Show InChI InChI=1S/C30H40N4O/c35-29(30-17-21-13-22(18-30)15-23(14-21)19-30)32-34-11-6-24(7-12-34)25-3-4-28-27(16-25)26(20-31-28)5-10-33-8-1-2-9-33/h3-4,6,16,20-23,31H,1-2,5,7-15,17-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139521 (CHEMBL162771 | Cyclohexanecarboxylic acid {4-[3-(2...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6| Show InChI InChI=1S/C26H36N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139511 (Adamantane-1-carbothioic acid {4-[3-(2-pyrrolidin-...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32| Show InChI InChI=1S/C30H40N4S/c35-29(30-17-21-13-22(18-30)15-23(14-21)19-30)32-34-11-6-24(7-12-34)25-3-4-28-27(16-25)26(20-31-28)5-10-33-8-1-2-9-33/h3-4,6,16,20-23,31H,1-2,5,7-15,17-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139513 (4-Methyl-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Cc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C27H32N4S/c1-20-4-6-22(7-5-20)27(32)29-31-16-11-21(12-17-31)23-8-9-26-25(18-23)24(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139520 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4S/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139518 (CHEMBL348756 | Cyclohexanecarbothioic acid {4-[3-(...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6| Show InChI InChI=1S/C26H36N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139519 (CHEMBL163151 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C26H30N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139502 (4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-ind...) Show SMILES COc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C27H32N4O2/c1-33-24-7-4-21(5-8-24)27(32)29-31-16-11-20(12-17-31)22-6-9-26-25(18-22)23(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139505 (4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-ind...) Show SMILES COc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C27H32N4OS/c1-32-24-7-4-21(5-8-24)27(33)29-31-16-11-20(12-17-31)22-6-9-26-25(18-22)23(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139504 (4-Methyl-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Cc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)27(32)29-31-16-11-21(12-17-31)23-8-9-26-25(18-23)24(19-28-26)10-15-30-13-2-3-14-30/h4-9,11,18-19,28H,2-3,10,12-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139515 (Adamantane-1-carboxylic acid {4-[3-(2-pyrrolidin-1...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32| Show InChI InChI=1S/C30H40N4O/c35-29(30-17-21-13-22(18-30)15-23(14-21)19-30)32-34-11-6-24(7-12-34)25-3-4-28-27(16-25)26(20-31-28)5-10-33-8-1-2-9-33/h3-4,6,16,20-23,31H,1-2,5,7-15,17-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139514 (CHEMBL423789 | Naphthalene-1-carboxylic acid {4-[3...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C30H32N4O/c35-30(27-9-5-7-23-6-1-2-8-26(23)27)32-34-18-13-22(14-19-34)24-10-11-29-28(20-24)25(21-31-29)12-17-33-15-3-4-16-33/h1-2,5-11,13,20-21,31H,3-4,12,14-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139517 (CHEMBL352181 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50139509 (3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-...) Show SMILES C(Cc1c[nH]c2ccc(cc12)C1=CCNCC1)N1CCCC1 |t:13| Show InChI InChI=1S/C19H25N3/c1-2-11-22(10-1)12-7-17-14-21-19-4-3-16(13-18(17)19)15-5-8-20-9-6-15/h3-5,13-14,20-21H,1-2,6-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139503 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4O/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139516 (CHEMBL161894 | Naphthalene-1-carbothioic acid {4-[...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C30H32N4S/c35-30(27-9-5-7-23-6-1-2-8-26(23)27)32-34-18-13-22(14-19-34)24-10-11-29-28(20-24)25(21-31-29)12-17-33-15-3-4-16-33/h1-2,5-11,13,20-21,31H,3-4,12,14-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139510 (5-[1-(4-Chloro-benzenesulfonyl)-1,2,3,6-tetrahydro...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C25H28ClN3O2S/c26-22-4-6-23(7-5-22)32(30,31)29-15-10-19(11-16-29)20-3-8-25-24(17-20)21(18-27-25)9-14-28-12-1-2-13-28/h3-8,10,17-18,27H,1-2,9,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139521 (CHEMBL162771 | Cyclohexanecarboxylic acid {4-[3-(2...) Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6| Show InChI InChI=1S/C26H36N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139512 (3-(2-Pyrrolidin-1-yl-ethyl)-5-[1-(toluene-4-sulfon...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H31N3O2S/c1-20-4-7-24(8-5-20)32(30,31)29-16-11-21(12-17-29)22-6-9-26-25(18-22)23(19-27-26)10-15-28-13-2-3-14-28/h4-9,11,18-19,27H,2-3,10,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139506 (5-[1-(4-Methoxy-benzenesulfonyl)-1,2,3,6-tetrahydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15| Show InChI InChI=1S/C26H31N3O3S/c1-32-23-5-7-24(8-6-23)33(30,31)29-16-11-20(12-17-29)21-4-9-26-25(18-21)22(19-27-26)10-15-28-13-2-3-14-28/h4-9,11,18-19,27H,2-3,10,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139511 (Adamantane-1-carbothioic acid {4-[3-(2-pyrrolidin-...) Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32| Show InChI InChI=1S/C30H40N4S/c35-29(30-17-21-13-22(18-30)15-23(14-21)19-30)32-34-11-6-24(7-12-34)25-3-4-28-27(16-25)26(20-31-28)5-10-33-8-1-2-9-33/h3-4,6,16,20-23,31H,1-2,5,7-15,17-19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139507 (5-[1-(Naphthalene-1-sulfonyl)-1,2,3,6-tetrahydro-p...) Show SMILES O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6| Show InChI InChI=1S/C29H31N3O2S/c33-35(34,29-9-5-7-23-6-1-2-8-26(23)29)32-18-13-22(14-19-32)24-10-11-28-27(20-24)25(21-30-28)12-17-31-15-3-4-16-31/h1-2,5-11,13,20-21,30H,3-4,12,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139508 (5-(1-Benzenesulfonyl-1,2,3,6-tetrahydro-pyridin-4-...) Show SMILES O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6| Show InChI InChI=1S/C25H29N3O2S/c29-31(30,23-6-2-1-3-7-23)28-16-11-20(12-17-28)21-8-9-25-24(18-21)22(19-26-25)10-15-27-13-4-5-14-27/h1-3,6-9,11,18-19,26H,4-5,10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50133460 (CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1 |t:16| Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50139509 (3-(2-Pyrrolidin-1-yl-ethyl)-5-(1,2,3,6-tetrahydro-...) Show SMILES C(Cc1c[nH]c2ccc(cc12)C1=CCNCC1)N1CCCC1 |t:13| Show InChI InChI=1S/C19H25N3/c1-2-11-22(10-1)12-7-17-14-21-19-4-3-16(13-18(17)19)15-5-8-20-9-6-15/h3-5,13-14,20-21H,1-2,6-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
					More data for this Ligand-Target Pair