SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 193.0
BDBM50159796

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase2				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase II				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase [110-330] (Flaveria bidentis (Coastal plain yellowtops))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	5.12E+4	-24.1	n/a	n/a	n/a	n/a	n/a	8.3	20
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.				J Enzyme Inhib Med Chem 29: 500-4 (2014) Article DOI: 10.3109/14756366.2013.813942 BindingDB Entry DOI: 10.7270/Q2WD3ZGT
Istituto di Biostrutture e Bioimmagini-CNR					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Candida albicans Nce103				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	7.40E+4	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 human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2521-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.057 BindingDB Entry DOI: 10.7270/Q2X63N76
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	7.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IV				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	7.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50159796 (2,3,5,6-F4-Benzoate \| CHEMBL368444 \| Sodium; 2,3,5...) Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.62E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase V				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair