Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4 BDBM50221433

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

Found 1 hit 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
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50221433 (1-(9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxan...) Show SMILES NC(=O)C1CCN(CC1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C19H18N2O4S/c20-19(23)12-7-9-21(10-8-12)13-5-6-15-17(11-13)26(24,25)16-4-2-1-3-14(16)18(15)22/h1-6,11-12H,7-10H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of BRCA1 assessed as BRCT-BACH1 interaction				Bioorg Med Chem Lett 17: 5940-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.103 BindingDB Entry DOI: 10.7270/Q2CJ8D7P
					More data for this Ligand-Target Pair