BDBM50028972 BENZENE SELENOIC ACID::Benzene Selenoic Acid

SMILES: O[Se](=O)c1ccccc1

InChI Key: InChIKey=WIHKGDVGLJJAMC-UHFFFAOYSA-N

Data: 5 KI  7 IC50  2 Kd

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 14 hits for monomerid = 50028972   

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 (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red ...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...				Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BBOX by tryptophan fluorescence quenching binding assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (BENZENE SELENOIC ACID | Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair