BDBM79933 (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester::(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester::ILP-I-69::MLS000911294::SMR000641974::cid_24793385::tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate::tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate
SMILES: CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
InChI Key: InChIKey=ZHKCBJBORAYSKM-FQEVSTJZSA-N
Data: 2 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)) | BDBM79933 ((2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM79933 ((2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 515 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS | |||||||||||
More data for this Ligand-Target Pair |