Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S' and Ligand = 'BDBM50227344'   

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-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50227344 (CHEMBL3392280) Show SMILES CCOC(=O)C1=C(C)NC(OCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12| Show InChI InChI=1S/C20H24N2O7/c1-5-27-18-17(20(24)29-7-3)16(13-9-8-10-14(11-13)22(25)26)15(12(4)21-18)19(23)28-6-2/h8-11,16,21H,5-7H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Squibb Institute for Medical Research Curated by ChEMBL					Assay Description In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta				J Med Chem 33: 2629-35 (1990) BindingDB Entry DOI: 10.7270/Q2XD13XV
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