Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent T-type calcium channel subunit alpha-1I' and Ligand = 'BDBM50452245'   

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))	BDBM50452245 (Act-709478) Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Binding activity to inactivated state of recombinant human Cav3.3 expressed in CHO cells assessed as inhibition of tail current amplitude by whole ce...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Rattus norvegicus)	BDBM50452245 (Act-709478) Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Cav3.3 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assa...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50452245 (Act-709478) Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair