BDBM50030603 2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3-carboxylic acid 2-methoxy-benzylamide::CHEMBL108010

SMILES: COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C

InChI Key: InChIKey=NYYCJMICKJQGAQ-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 = 50030603   

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))	BDBM50030603 (2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3...) Show SMILES COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C25H22N2O3/c1-27-23(24(28)26-16-18-12-6-9-15-21(18)30-2)22(17-10-4-3-5-11-17)19-13-7-8-14-20(19)25(27)29/h3-15H,16H2,1-2H3,(H,26,28)	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	860	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