BDBM50117507 (3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-trifluoromethyl-phenyl)-1,8-dioxa-4-aza-spiro[5.5]undecane::CHEMBL443799

SMILES: Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=HYHOBIXFGWNRJI-NDPVAKIZSA-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 = 50117507   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50117507 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(28-10-9-26-19)11-15(12-27-13-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair