BDBM50145299 CHEMBL79423::Phenethyl-[6-([1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-amine

SMILES: C(Cc1ccccc1)NCc1cccc(COc2nn3cnnc3c3ccccc23)n1

InChI Key: InChIKey=BIJSBGFZBOFOLQ-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 = 50145299   

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))	BDBM50145299 (CHEMBL79423 | Phenethyl-[6-([1,2,4]triazolo[3,4-a]...) Show SMILES C(Cc1ccccc1)NCc1cccc(COc2nn3cnnc3c3ccccc23)n1 Show InChI InChI=1S/C24H22N6O/c1-2-7-18(8-3-1)13-14-25-15-19-9-6-10-20(27-19)16-31-24-22-12-5-4-11-21(22)23-28-26-17-30(23)29-24/h1-12,17,25H,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 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