Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.8 BDBM50451698

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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-1H (Homo sapiens (Human))	BDBM50451698 (CHEMBL4204013) Show SMILES Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ccncc1OCC(F)(F)F Show InChI InChI=1S/C20H23ClF3N3O2/c1-19(2)6-4-13-14(8-19)17(21)27(3)16(13)18(28)26-9-12-5-7-25-10-15(12)29-11-20(22,23)24/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cav3.2 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...				Bioorg Med Chem Lett 27: 5326-5331 (2017) Article DOI: 10.1016/j.bmcl.2017.09.062 BindingDB Entry DOI: 10.7270/Q2C82CV9
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50451698 (CHEMBL4204013) Show SMILES Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ccncc1OCC(F)(F)F Show InChI InChI=1S/C20H23ClF3N3O2/c1-19(2)6-4-13-14(8-19)17(21)27(3)16(13)18(28)26-9-12-5-7-25-10-15(12)29-11-20(22,23)24/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cav3.1 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...				Bioorg Med Chem Lett 27: 5326-5331 (2017) Article DOI: 10.1016/j.bmcl.2017.09.062 BindingDB Entry DOI: 10.7270/Q2C82CV9
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50451698 (CHEMBL4204013) Show SMILES Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ccncc1OCC(F)(F)F Show InChI InChI=1S/C20H23ClF3N3O2/c1-19(2)6-4-13-14(8-19)17(21)27(3)16(13)18(28)26-9-12-5-7-25-10-15(12)29-11-20(22,23)24/h5,7,10H,4,6,8-9,11H2,1-3H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cav3.3 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...				Bioorg Med Chem Lett 27: 5326-5331 (2017) Article DOI: 10.1016/j.bmcl.2017.09.062 BindingDB Entry DOI: 10.7270/Q2C82CV9
					More data for this Ligand-Target Pair