BDBM50000246 CHEMBL139859

SMILES: FC(F)(F)c1cc(COCC(N2CCN(CCN3CCOCC3)CC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=OJSVVPWTTKYYQY-UHFFFAOYSA-N

Data: 1 KI

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 = 50000246   

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))	BDBM50000246 (CHEMBL139859) Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CCN3CCOCC3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H33F6N3O2/c28-26(29,30)23-16-21(17-24(18-23)27(31,32)33)19-38-20-25(22-4-2-1-3-5-22)36-10-8-34(9-11-36)6-7-35-12-14-37-15-13-35/h1-5,16-18,25H,6-15,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair