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 = 'BDBM50015432'   

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))	BDBM50015432 (6-Methyl-2-methylsulfanyl-4-(3-nitro-phenyl)-1,4-d...) Show SMILES CCOC(=O)C1C(N=C(SC)N=C1C)c1cccc(c1)[N+]([O-])=O |c:11,t:7| Show InChI InChI=1S/C15H17N3O4S/c1-4-22-14(19)12-9(2)16-15(23-3)17-13(12)10-6-5-7-11(8-10)18(20)21/h5-8,12-13H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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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