BDBM50284639 CHEMBL281717::[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-cyclohexylmethyl]-urea

SMILES: NC(=O)NC[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1

InChI Key: InChIKey=GTYZTMYLHNWKSE-LSTHTHJFSA-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 = 50284639   

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))	BDBM50284639 (CHEMBL281717 | [3-(3,5-Bis-trifluoromethyl-benzylo...) Show SMILES NC(=O)NC[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-14(10-18(11-17)23(27,28)29)13-33-19-8-4-7-16(12-31-21(30)32)20(19)15-5-2-1-3-6-15/h1-3,5-6,9-11,16,19-20H,4,7-8,12-13H2,(H3,30,31,32)/t16-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells				Bioorg Med Chem Lett 5: 1345-1350 (1995) Article DOI: 10.1016/0960-894X(95)00220-N BindingDB Entry DOI: 10.7270/Q2416X13
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