BDBM50318694 2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline::CHEMBL1082414
SMILES: C[C@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2ccccc2n1
InChI Key: InChIKey=BZCVKCOKZBGXCF-KRWDZBQOSA-N
Data: 3 KI
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 2 (Homo sapiens (Human)) | BDBM50318694 (2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.5 | 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 [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp... | J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50318694 (2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54 | 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 [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C... | J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50318694 (2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54 | 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 [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre... | J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 | |||||||||||
More data for this Ligand-Target Pair |