BDBM50145304 CHEMBL82891::[6-(3-Cyclopropyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-phenethyl-amine

SMILES: C(Cc1ccccc1)NCc1cccc(COc2nn3c(nnc3c3ccccc23)C2CC2)n1

InChI Key: InChIKey=DNSRWZBFBUGUMA-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 = 50145304   

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))	BDBM50145304 (CHEMBL82891 | [6-(3-Cyclopropyl-[1,2,4]triazolo[3,...) Show SMILES C(Cc1ccccc1)NCc1cccc(COc2nn3c(nnc3c3ccccc23)C2CC2)n1 Show InChI InChI=1S/C27H26N6O/c1-2-7-19(8-3-1)15-16-28-17-21-9-6-10-22(29-21)18-34-27-24-12-5-4-11-23(24)26-31-30-25(20-13-14-20)33(26)32-27/h1-12,20,28H,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	272	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