Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.6 BDBM50207236

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50207236 (CHEMBL3946960) Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1 Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institutes of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method				Eur J Med Chem 123: 665-672 (2016) Article DOI: 10.1016/j.ejmech.2016.07.032 BindingDB Entry DOI: 10.7270/Q2ZK5JN6
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50207236 (CHEMBL3946960) Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1 Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institutes of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method				Eur J Med Chem 123: 665-672 (2016) Article DOI: 10.1016/j.ejmech.2016.07.032 BindingDB Entry DOI: 10.7270/Q2ZK5JN6
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50207236 (CHEMBL3946960) Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1 Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institutes of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method				Eur J Med Chem 123: 665-672 (2016) Article DOI: 10.1016/j.ejmech.2016.07.032 BindingDB Entry DOI: 10.7270/Q2ZK5JN6
					More data for this Ligand-Target Pair