Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-dependent T-type calcium channel subunit alpha-1I' and Ligand = 'BDBM50243805'   

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 T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50243805 ((S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...) Show SMILES CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 |r| Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
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