BDBM50342013 CHEMBL1765500::N-[3,5-Bis(trifluoromethyl)benzyl]-N,2-dimethyl-6-(4-methylpiperazin-1-yl)-4-phenylnicotinamide

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(cc1-c1ccccc1)N1CCN(C)CC1

InChI Key: InChIKey=AFZUBBFQMWDRAV-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 = 50342013   

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))	BDBM50342013 (CHEMBL1765500 | N-[3,5-Bis(trifluoromethyl)benzyl]...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(cc1-c1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem 19: 2242-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.031 BindingDB Entry DOI: 10.7270/Q2QJ7J8H
					More data for this Ligand-Target Pair