BDBM50145313 CHEMBL81850::[6-(3-Methoxymethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-phenethyl-amine

SMILES: COCc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12

InChI Key: InChIKey=CAKMUDOEQMSBJG-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 = 50145313   

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))	BDBM50145313 (CHEMBL81850 | [6-(3-Methoxymethyl-[1,2,4]triazolo[...) Show SMILES COCc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Show InChI InChI=1S/C26H26N6O2/c1-33-18-24-29-30-25-22-12-5-6-13-23(22)26(31-32(24)25)34-17-21-11-7-10-20(28-21)16-27-15-14-19-8-3-2-4-9-19/h2-13,27H,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	131	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