BDBM50074164 ((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine::CHEMBL159759
SMILES: C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
InChI Key: InChIKey=UNPAATNKWLYEKL-PMACEKPBSA-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)) | BDBM50074164 (((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50074164 (((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50074164 (((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair |