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 = 'BDBM50229330'   

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)	BDBM50229330 (CHEMBL308817) Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccc(OC)cc1)c1ccccc1C(F)(F)F |c:12,t:9| Show InChI InChI=1S/C25H23F3N2O3S/c1-4-33-24(31)23-21(14-34-17-11-9-16(32-3)10-12-17)30-15(2)19(13-29)22(23)18-7-5-6-8-20(18)25(26,27)28/h5-12,22,31H,4,14H2,1-3H3/b24-23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine				J Med Chem 34: 2248-60 (1991) BindingDB Entry DOI: 10.7270/Q27P91MK
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