BDBM50106891 3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dichloro-benzyl)-N'-methyl-hydrazino]-N-((R)-2-oxo-azepan-3-yl)-propionamide::CHEMBL318606
SMILES: CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=KKLMRJSMWOEEFA-OAQYLSRUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50106891 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand | Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50106891 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand | Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD | |||||||||||
More data for this Ligand-Target Pair |