BDBM50290856 3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-phenyl-1-(1H-[1,2,4]triazol-3-ylmethyl)-piperidine::CHEMBL101148

SMILES: C[C@@H](O[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=UVXYGQKELRXDBW-PDXHDDNESA-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 = 50290856   

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 (Rattus norvegicus (rat))	BDBM50290856 (3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...) Show SMILES C[C@@H](O[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O/c1-15(17-10-18(23(25,26)27)12-19(11-17)24(28,29)30)35-20-8-5-9-34(13-21-31-14-32-33-21)22(20)16-6-3-2-4-7-16/h2-4,6-7,10-12,14-15,20,22H,5,8-9,13H2,1H3,(H,31,32,33)/t15-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair