BDBM50191089 2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-1-(pyrrolidin-1-yl)ethanone::CHEMBL215975

SMILES: C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=XPVWAIADFDEAFW-NUYCEAJWSA-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 = 50191089   

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))	BDBM50191089 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F7N2O2/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)39-24-10-9-23(26(24)18-5-7-22(29)8-6-18)36(2)16-25(38)37-11-3-4-12-37/h5-8,13-15,17,23-24,26H,3-4,9-12,16H2,1-2H3/t17-,23-,24+,26+/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	0.430	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