Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1S' and Ligand = 'BDBM50227617'   

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 L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50227617 (CHEMBL46635) Show SMILES CCOC(=O)CC1=C(C(\C(=C(/O)OCC)C(C)=N1)c1ccccc1C(F)(F)F)C(=O)OCC |c:16,t:6| Show InChI InChI=1S/C23H26F3NO6/c1-5-31-17(28)12-16-20(22(30)33-7-3)19(18(13(4)27-16)21(29)32-6-2)14-10-8-9-11-15(14)23(24,25)26/h8-11,19,29H,5-7,12H2,1-4H3/b21-18+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.				J Med Chem 31: 1659-64 (1988) BindingDB Entry DOI: 10.7270/Q2WQ060D
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