BDBM50329688 2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydiphenylmethane::5,5'-methylenebis(3,4-dibromobenzene-1,2-diol)::CHEMBL253690

SMILES: Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O

InChI Key: InChIKey=WIAKRAUTQVUHHL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50329688   

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
Isocitrate lyase (Candida albicans)	BDBM50329688 (2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...) Show SMILES Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 10231 isocitrate lyase				Bioorg Med Chem Lett 20: 6644-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.015 BindingDB Entry DOI: 10.7270/Q22V2GBW
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50329688 (2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...) Show SMILES Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant PTB1B using pNPP as substrate after 3 mins				Bioorg Med Chem Lett 22: 2827-32 (2012) Article DOI: 10.1016/j.bmcl.2012.02.074 BindingDB Entry DOI: 10.7270/Q28K7B33
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50329688 (2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...) Show SMILES Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase after 30 mins				Bioorg Med Chem Lett 21: 7142-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.072 BindingDB Entry DOI: 10.7270/Q28G8M3R
					More data for this Ligand-Target Pair