BDBM50178479 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(piperidin-1-yl)-6H-pyrrolo[3,4-d]pyridazine::CHEMBL382959

SMILES: CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCCCC3)c2c1C

InChI Key: InChIKey=RBNHQDONFKAMDH-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 = 50178479   

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))	BDBM50178479 (6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(piperidin-1-...) Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCCCC3)c2c1C Show InChI InChI=1S/C22H28N4O/c1-5-27-19-11-9-18(10-12-19)26-16(3)20-15(2)23-24-22(21(20)17(26)4)25-13-7-6-8-14-25/h9-12H,5-8,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description [3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel				Bioorg Med Chem Lett 16: 746-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.117 BindingDB Entry DOI: 10.7270/Q2X34X2M
					More data for this Ligand-Target Pair