BDBM50033815 3-[4-(3,5-Bis-trifluoromethyl-benzyl)-piperazin-2-ylmethyl]-1H-indole::CHEMBL176772

SMILES: FC(F)(F)c1cc(CN2CCNC(Cc3c[nH]c4ccccc34)C2)cc(c1)C(F)(F)F

InChI Key: InChIKey=CVJXAAMXYMIAEU-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 = 50033815   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50033815 (3-[4-(3,5-Bis-trifluoromethyl-benzyl)-piperazin-2-...) Show SMILES FC(F)(F)c1cc(CN2CCNC(Cc3c[nH]c4ccccc34)C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F6N3/c23-21(24,25)16-7-14(8-17(10-16)22(26,27)28)12-31-6-5-29-18(13-31)9-15-11-30-20-4-2-1-3-19(15)20/h1-4,7-8,10-11,18,29-30H,5-6,9,12-13H2	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	567	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