BDBM50186526 CHEMBL377242::trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutyl)(piperidin-1-yl)methanone

SMILES: C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=WBCFUQRECRQFHU-XYHYBEPMSA-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 = 50186526   

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))	BDBM50186526 (CHEMBL377242 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(1.32,-2.59,;1.32,-4.13,;2.66,-4.89,;3.99,-4.12,;5.33,-4.88,;4.26,-5.99,;5.37,-7.06,;4.26,-8.14,;6.44,-5.95,;6.71,-7.81,;6.72,-9.35,;8.03,-7.03,;9.37,-7.79,;10.69,-7.02,;10.68,-5.48,;9.34,-4.72,;8.01,-5.5,;6.66,-4.11,;7.99,-4.87,;9.32,-4.1,;9.31,-2.56,;7.97,-1.79,;6.64,-2.57,;-.01,-4.9,;-0,-6.45,;-1.34,-7.22,;-2.67,-6.45,;-2.67,-4.91,;-1.34,-4.14,;-4,-4.14,;-3.24,-2.8,;-4.78,-5.47,;-5.34,-3.37,;-1.34,-8.76,;.19,-8.76,;-2.89,-8.76,;-1.33,-10.3,)| Show InChI InChI=1S/C27H30F6N2O2/c1-18(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)37-17-24(20-8-4-2-5-9-20)15-25(34,16-24)23(36)35-10-6-3-7-11-35/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15-17,34H2,1H3/t18-,24-,25+/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	1.30	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 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair