BDBM106968 US8592457, 1-5
SMILES: COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
InChI Key: InChIKey=DDMRLRAWRUJYNZ-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 |
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Orexin receptor type 2 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex... | Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.720 | -13.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). | US Patent US8592457 (2013) BindingDB Entry DOI: 10.7270/Q2251GTW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408... | Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Time dependent inhibition of CYP3A4 (unknown origin) | Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay | Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM106968 (US8592457, 1-5) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at human OX1R I408V mutant expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR... | Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J | |||||||||||
More data for this Ligand-Target Pair |