BDBM184022 US9150566, 60
SMILES: COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
InChI Key: InChIKey=SHBXIINOQJVTRR-GOSISDBHSA-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)) | BDBM184022![]() (US9150566, 60) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | 37 |
ACTELION PHARMACEUTICALS LTD. US Patent | Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (... | US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM184022![]() (US9150566, 60) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
ACTELION PHARMACEUTICALS LTD. US Patent | Assay Description The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota... | US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM184022![]() (US9150566, 60) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | 37 |
ACTELION PHARMACEUTICALS LTD. US Patent | Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (... | US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3 | |||||||||||
More data for this Ligand-Target Pair |