BDBM7876 2-bromo-1-(4-bromophenyl)ethan-1-one::Halomethyl Phenyl Ketone deriv. 24::p-bromophenacyl bromide

SMILES: BrCC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=FKJSFKCZZIXQIP-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 5 PDB IDs match this monomer.

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 4 hits for monomerid = 7876   

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
Glycogen Synthase Kinase-3, beta (Oryctolagus cuniculus (rabbit))	BDBM7876 (2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...) Show SMILES BrCC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	37
Instituto de Quimica Medica (CSIC)					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 46: 4631-3 (2003) Article DOI: 10.1021/jm034108b BindingDB Entry DOI: 10.7270/Q2DJ5CVH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7876 (2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...) Show SMILES BrCC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of GSK3beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7876 (2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...) Show SMILES BrCC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Central University Curated by ChEMBL					Assay Description Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...				Eur J Med Chem 107: 63-81 (2015) BindingDB Entry DOI: 10.7270/Q2TH8PH8
					More data for this Ligand-Target Pair
Phospholipase A2 (Homo sapiens (Human))	BDBM7876 (2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...) Show SMILES BrCC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	9.0	40
University of California, San Diego					Assay Description Inhibition assay using phospholipase A2.				J Biol Chem 264: 8520-8 (1989) BindingDB Entry DOI: 10.7270/Q2F76B48
					More data for this Ligand-Target Pair