Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent calcium channel subunit alpha-2/delta-1' and Ligand = 'BDBM50140661'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50140661 (6-(3-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...) Show SMILES CCOc1cccc(c1)-n1c(C)c2c(C)nnc(C)c2c1C Show InChI InChI=1S/C18H21N3O/c1-6-22-16-9-7-8-15(10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin				Bioorg Med Chem Lett 14: 1295-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.036 BindingDB Entry DOI: 10.7270/Q26Q1WPT
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