BDBM50364194 CHEMBL1951634

SMILES: CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=GXXBMYFWBOPUCZ-LEWJYISDSA-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 = 50364194   

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))	BDBM50364194 (CHEMBL1951634) Show SMILES CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O3/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-38-3)7-6-20(21)22(36)34(2)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/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	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair