BDBM50342022 CHEMBL1765491::N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-4-phenylnicotinamide

SMILES: Cc1nccc(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FUCPKVYRKXXLFP-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 = 50342022   

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))	BDBM50342022 (CHEMBL1765491 | N-[3,5-Bis(trifluoromethyl)benzyl]...) Show SMILES Cc1nccc(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H16F6N2O/c1-13-19(18(7-8-29-13)15-5-3-2-4-6-15)20(31)30-12-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-11H,12H2,1H3,(H,30,31)	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	653	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