BDBM50191096 (1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-ethyl-2-(4-fluorophenyl)cyclopentanamine::CHEMBL215889

SMILES: CCN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1

InChI Key: InChIKey=HXYBGSBEAXRDNM-XXOQXHNZSA-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 = 50191096   

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))	BDBM50191096 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CCN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C23H24F7NO/c1-3-31-19-8-9-20(21(19)14-4-6-18(24)7-5-14)32-13(2)15-10-16(22(25,26)27)12-17(11-15)23(28,29)30/h4-7,10-13,19-21,31H,3,8-9H2,1-2H3/t13-,19-,20+,21+/m1/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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair