BDBM50191093 (1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclopentanamine::CHEMBL377917

SMILES: C[C@@H](O[C@H]1CC[C@@H](NCc2ccncc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=HDUXCTJRNTXGBA-AMKSYCFISA-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 = 50191093   

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))	BDBM50191093 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CC[C@@H](NCc2ccncc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H25F7N2O/c1-16(19-12-20(26(29,30)31)14-21(13-19)27(32,33)34)37-24-7-6-23(36-15-17-8-10-35-11-9-17)25(24)18-2-4-22(28)5-3-18/h2-5,8-14,16,23-25,36H,6-7,15H2,1H3/t16-,23-,24+,25+/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	0.700	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