BDBM50145300 CHEMBL420593::[2-(4-Fluoro-phenyl)-ethyl]-[6-(3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-amine

SMILES: Fc1ccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)cc1

InChI Key: InChIKey=GFFBTOWMJLNYMI-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 = 50145300   

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))	BDBM50145300 (CHEMBL420593 | [2-(4-Fluoro-phenyl)-ethyl]-[6-(3-t...) Show SMILES Fc1ccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C25H20F4N6O/c26-17-10-8-16(9-11-17)12-13-30-14-18-4-3-5-19(31-18)15-36-23-21-7-2-1-6-20(21)22-32-33-24(25(27,28)29)35(22)34-23/h1-11,30H,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	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