BDBM50218240 3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)cyclopent-2-enone::CHEMBL399668

SMILES: C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ZOZMJQQTJQLNGG-AIYSXCBHSA-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 = 50218240   

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))	BDBM50218240 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C25H23F6NO2/c1-15(17-9-18(24(26,27)28)11-19(10-17)25(29,30)31)34-23-14-32(20-7-8-21(33)12-20)13-22(23)16-5-3-2-4-6-16/h2-6,9-12,15,22-23H,7-8,13-14H2,1H3/t15-,22+,23-/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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair