BDBM50346328 (S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methylacetamide::CHEMBL1782139
SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN1Cc2ccccc2C[C@H](NC(C)=O)C1=O
InChI Key: InChIKey=QJHLLGCMNXHDQT-FQEVSTJZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50346328 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis | Eur J Med Chem 92: 64-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50346328 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting | 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 | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50346328 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines... | 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 |