BDBM50346332 2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide::CHEMBL293844::N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxamide
SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1
InChI Key: InChIKey=KHZRTZHBWKCJRA-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50346332 (2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]dia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi | Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50346332 (2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]dia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity to NK1 receptor | J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1 | |||||||||||
More data for this Ligand-Target Pair |