BDBM50074059 CHEMBL3409870
SMILES: COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
InChI Key: InChIKey=WDQKCMWGNYOTEG-OALUTQOASA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50074059 (CHEMBL3409870) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay | Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50074059 (CHEMBL3409870) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone as marker substrate | Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50074059 (CHEMBL3409870) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay | Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V | |||||||||||
More data for this Ligand-Target Pair |