BDBM50243338 CHEMBL452271::N-((3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-oxo-5-phenylpyrrolidin-3-yl)acetamide

SMILES: C[C@@H](OC[C@]1(C[C@@H](NC(C)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=HDCFCWFTSFQKMC-WHIIXXIBSA-N

Data: 1 KI

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 = 50243338   

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))	BDBM50243338 (CHEMBL452271 | N-((3R,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](NC(C)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F6N2O3/c1-13(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)34-12-21(16-6-4-3-5-7-16)11-19(20(33)31-21)30-14(2)32/h3-10,13,19H,11-12H2,1-2H3,(H,30,32)(H,31,33)/t13-,19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair