BDBM50357162 CHEMBL1917859

SMILES: COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NC1CC1)-n1nnnc1C(F)(F)F

InChI Key: InChIKey=DNWDXVUEVAPELT-SFTDATJTSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357162   

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))	BDBM50357162 (CHEMBL1917859) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NC1CC1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N7O2/c1-37-22-10-9-19(35-23(25(26,27)28)31-32-33-35)13-17(22)14-29-21-11-12-34(24(36)30-18-7-8-18)15-20(21)16-5-3-2-4-6-16/h2-6,9-10,13,18,20-21,29H,7-8,11-12,14-15H2,1H3,(H,30,36)/t20-,21-/m0/s1	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	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
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