BDBM50372482 CHEMBL270114

SMILES: C[C@@H](O[C@H]1CN2[C@@H](CN(Cc3ccccc3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=UGDZQVXRBCKAQS-XRNKBYASSA-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 = 50372482   

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))	BDBM50372482 (CHEMBL270114) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CN(Cc3ccccc3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H25F7N2O2/c1-17(20-11-21(28(31,32)33)13-22(12-20)29(34,35)36)40-25-16-38-24(26(25)19-7-9-23(30)10-8-19)15-37(27(38)39)14-18-5-3-2-4-6-18/h2-13,17,24-26H,14-16H2,1H3/t17-,24+,25+,26+/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	2.70	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