BDBM50030572 2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide::CHEMBL106087

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C

InChI Key: InChIKey=IGCPWDNMPNIUIJ-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 = 50030572   

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))	BDBM50030572 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;16.43,-15.24,;17.65,-15.97,;16.69,-16.85,;17.95,-14.68,;13.77,-10.62,;13.77,-9.2,;15.03,-9.6,;12.53,-9.59,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H22F6N2O2/c1-16-8-4-5-9-20(16)23-21-10-6-7-11-22(21)25(37)36(3)24(23)26(38)35(2)15-17-12-18(27(29,30)31)14-19(13-17)28(32,33)34/h4-14H,15H2,1-3H3	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	1.30	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