BDBM50363493 3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)benzene-1,2-diol (3)::CHEMBL464987

SMILES: Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br

InChI Key: InChIKey=CVTMBOIHOUULML-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50363493   

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
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,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	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Aldose reductase (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	n/a	n/a
Jilin Province Academy of Traditional Chinese Medicine and Materia Medica Curated by ChEMBL					Assay Description Inhibition of human muscle recombinant aldose reductase by spectrophotometry				J Nat Prod 68: 620-2 (2005) Article DOI: 10.1021/np040199j BindingDB Entry DOI: 10.7270/Q2BZ68TQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50363493 (3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...) Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2	PDB MMDB 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	8.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Atatürk University					Assay Description Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...				J Enzyme Inhib Med Chem 27: 43-50 (2012) Article DOI: 10.3109/14756366.2011.574131 BindingDB Entry DOI: 10.7270/Q2CR5S75
					More data for this Ligand-Target Pair