BDBM50328976 1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)imidazolidin-2-one::CHEMBL1270370

SMILES: C[C@@H](OC[C@]1(CC[C@@H](CN1)N1CCNC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=IYBKCWABKHOZDN-XORNHQRDSA-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 = 50328976   

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))	BDBM50328976 (1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)N1CCNC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H27F6N3O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)36-15-23(18-5-3-2-4-6-18)8-7-21(14-33-23)34-10-9-32-22(34)35/h2-6,11-13,16,21,33H,7-10,14-15H2,1H3,(H,32,35)/t16-,21+,23-/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	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
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