BDBM50191082 5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)methyl)-2H-1,2,4-triazol-3(4H)-one::CHEMBL379137

SMILES: C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1n[nH]c(=O)[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PLGYHEQJCJPPSA-SINHWUCRSA-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 = 50191082   

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))	BDBM50191082 (5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1n[nH]c(=O)[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H25F7N4O2/c1-13(15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)38-20-8-7-19(22(20)14-3-5-18(26)6-4-14)36(2)12-21-33-23(37)35-34-21/h3-6,9-11,13,19-20,22H,7-8,12H2,1-2H3,(H2,33,34,35,37)/t13-,19-,20+,22+/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	0.230	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