BDBM50054974 2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine::2-(5-{4-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine::CHEMBL144030
SMILES: NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChI Key: InChIKey=IFTLFEAARDEHJJ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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...) | PDB Reactome pathway KEGG DrugBank 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...) | PDB Reactome pathway KEGG DrugBank 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 |
Centre de Recherche Pierre Fabre Curated by ChEMBL | Assay Description Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1B receptor in CHO-K1 cells | J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M | |||||||||||
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...) | PDB Reactome pathway KEGG DrugBank 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 |
Centre de Recherche Pierre Fabre Curated by ChEMBL | Assay Description Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cells | J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M | |||||||||||
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...) | PDB Reactome pathway KEGG DrugBank 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 1A (Homo sapiens (Human)) | BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) | PDB 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 1A (Homo sapiens (Human)) | BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) | PDB 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 |
Centre de Recherche Pierre Fabre Curated by ChEMBL | Assay Description Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1A receptor in CHO-K1 cells | J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M | |||||||||||
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...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Centre de Recherche Pierre Fabre Curated by ChEMBL | Assay Description Inhibition of forskolin-stimulated c-AMP formation by human 5-hydroxytryptamine 1B receptor expressed in CHO-K1 cells | J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M | |||||||||||
More data for this Ligand-Target Pair |