BDBM50318218 (Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxotetrahydrothiophen-3-yl)-3-methylbutanoic acid::CHEMBL1095759

SMILES: CC(C)C(C1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O

InChI Key: InChIKey=XRZYVSLYHSCKMQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318218   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50318218 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxotetrah...) Show SMILES CC(C)C(C1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O |w:9.9| Show InChI InChI=1S/C16H15BrO3S2/c1-8(2)12(15(19)20)13-14(18)11(22-16(13)21)7-9-3-5-10(17)6-4-9/h3-8,12-13H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human Bcl-XL				J Med Chem 53: 3465-79 (2010) Article DOI: 10.1021/jm901004c BindingDB Entry DOI: 10.7270/Q2QF8T11
					More data for this Ligand-Target Pair