BDBM50030588 2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3-carboxylic acid (2-methoxy-benzyl)-methyl-amide::CHEMBL320231

SMILES: COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C

InChI Key: InChIKey=UWXIKPYBYHAWLS-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 = 50030588   

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))	BDBM50030588 (2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C26H24N2O3/c1-27(17-19-13-7-10-16-22(19)31-3)26(30)24-23(18-11-5-4-6-12-18)20-14-8-9-15-21(20)25(29)28(24)2/h4-16H,17H2,1-3H3	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	30	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