BDBM50372481 CHEMBL408484

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

InChI Key: InChIKey=PSLREODRWYTHEC-VUVCYMEASA-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 = 50372481   

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))	BDBM50372481 (CHEMBL408484) Show SMILES C[C@@H](O[C@@H]1[C@H](CO)N(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F6NO4/c1-15(17-10-18(25(27,28)29)12-19(11-17)26(30,31)32)36-22-20(16-8-6-5-7-9-16)13-33(21(22)14-34)23(35)37-24(2,3)4/h5-12,15,20-22,34H,13-14H2,1-4H3/t15-,20+,21+,22+/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	7.80	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