BDBM50084954 CHEMBL443762::Methanesulfonic acid 4-{[2'-methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carbonyl]-amino}-2-(4-methyl-piperazin-1-yl)-phenyl ester
SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O
InChI Key: InChIKey=FRSKIBLQHPOBGH-UHFFFAOYSA-N
Data: 4 IC50
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 1D (Homo sapiens (Human)) | BDBM50084954![]() (CHEMBL443762 | Methanesulfonic acid 4-{[2'-methyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay | J Med Chem 43: 517-25 (2000) BindingDB Entry DOI: 10.7270/Q2WM1CNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1B/1D receptor (Rattus norvegicus (Rat)) | BDBM50084954![]() (CHEMBL443762 | Methanesulfonic acid 4-{[2'-methyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay | J Med Chem 43: 517-25 (2000) BindingDB Entry DOI: 10.7270/Q2WM1CNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50084954![]() (CHEMBL443762 | Methanesulfonic acid 4-{[2'-methyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition of 5-hydroxytryptamine reuptake | J Med Chem 43: 517-25 (2000) BindingDB Entry DOI: 10.7270/Q2WM1CNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50084954![]() (CHEMBL443762 | Methanesulfonic acid 4-{[2'-methyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen Curated by ChEMBL | Assay Description Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays | J Med Chem 43: 517-25 (2000) BindingDB Entry DOI: 10.7270/Q2WM1CNB | |||||||||||
More data for this Ligand-Target Pair |