BDBM50106378 CHEMBL3596466

SMILES: Cc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=PVXXVXKXEVALQK-UHFFFAOYSA-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 = 50106378   

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 (Rattus norvegicus (rat))	BDBM50106378 (CHEMBL3596466) Show SMILES Cc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H28F3NO/c1-20-6-5-7-22(14-20)23-15-21(16-25(17-23)27(28,29)30)18-32-19-26(10-12-31-13-11-26)24-8-3-2-4-9-24/h2-9,14-17,31H,10-13,18-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...				Bioorg Med Chem Lett 25: 3039-43 (2015) BindingDB Entry DOI: 10.7270/Q24M9690
					More data for this Ligand-Target Pair