BDBM50145302 (2-Phenyl-propyl)-[6-(3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-amine::CHEMBL79606

SMILES: CC(CNCc1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1)c1ccccc1

InChI Key: InChIKey=MARYJKFBRZVLCP-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 = 50145302   

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
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM50145302 ((2-Phenyl-propyl)-[6-(3-trifluoromethyl-[1,2,4]tri...) Show SMILES CC(CNCc1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1)c1ccccc1 Show InChI InChI=1S/C26H23F3N6O/c1-17(18-8-3-2-4-9-18)14-30-15-19-10-7-11-20(31-19)16-36-24-22-13-6-5-12-21(22)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.				Bioorg Med Chem Lett 14: 2463-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.008 BindingDB Entry DOI: 10.7270/Q23X876G
					More data for this Ligand-Target Pair