BDBM50030576 4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide::CHEMBL106864

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C

InChI Key: InChIKey=ZLBVSSWQRYZKCR-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 = 50030576   

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))	BDBM50030576 (4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-iso...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C27H19F7N2O2/c1-35(14-15-11-17(26(29,30)31)13-18(12-15)27(32,33)34)25(38)23-22(16-7-9-19(28)10-8-16)20-5-3-4-6-21(20)24(37)36(23)2/h3-13H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair