BDBM50033830 1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-ylmethyl)-piperazine-2,3-dione::CHEMBL368804

SMILES: FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC(=O)C2=O)cc(c1)C(F)(F)F

InChI Key: InChIKey=GMJLNKOCKKKDLK-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 = 50033830   

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))	BDBM50033830 (1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC(=O)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)14-5-12(6-15(8-14)22(26,27)28)10-31-11-16(30-19(32)20(31)33)7-13-9-29-18-4-2-1-3-17(13)18/h1-6,8-9,16,29H,7,10-11H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair