BDBM50145322 CHEMBL79400::[6-(3-Methylsulfanyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-phenethyl-amine

SMILES: CSc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12

InChI Key: InChIKey=KHJYNVTVGUJKET-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 = 50145322   

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))	BDBM50145322 (CHEMBL79400 | [6-(3-Methylsulfanyl-[1,2,4]triazolo...) Show SMILES CSc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Show InChI InChI=1S/C25H24N6OS/c1-33-25-29-28-23-21-12-5-6-13-22(21)24(30-31(23)25)32-17-20-11-7-10-19(27-20)16-26-15-14-18-8-3-2-4-9-18/h2-13,26H,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	194	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