BDBM50372487 CHEMBL438759

SMILES: C[C@@H](O[C@H]1[C@H]2COC(=O)N2C[C@@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FJLCUOVCNWYREI-HAFFEQERSA-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 = 50372487   

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))	BDBM50372487 (CHEMBL438759) Show SMILES C[C@@H](O[C@H]1[C@H]2COC(=O)N2C[C@@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6NO3/c1-12(14-7-15(21(23,24)25)9-16(8-14)22(26,27)28)32-19-17(13-5-3-2-4-6-13)10-29-18(19)11-31-20(29)30/h2-9,12,17-19H,10-11H2,1H3/t12-,17-,18-,19-/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-703606 from human NK1 expressed in CHO cells				Bioorg Med Chem 16: 2156-70 (2008) Article DOI: 10.1016/j.bmc.2007.11.081 BindingDB Entry DOI: 10.7270/Q2BK1D6M
					More data for this Ligand-Target Pair