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 = 'BDBM50228799'   

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))	BDBM50228799 (CHEMBL313446) Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(Cl)c1 |c:15| Show InChI InChI=1S/C17H19ClN2O4S/c1-4-23-15(21)13-10(3)19-16(25)20(17(22)24-5-2)14(13)11-7-6-8-12(18)9-11/h6-9,14,21H,4-5H2,1-3H3/b15-13+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	88	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 (voltage-gated 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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