SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 130.0
BDBM26191

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

Found 15 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 3 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.08E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	5.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	6.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Mus musculus (mouse))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	6.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	9.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.34E+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 human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.34E+5	-22.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	2.12E+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 mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	4.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	5.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	5.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	8.70E+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 human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 18: 3593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.04.077 BindingDB Entry DOI: 10.7270/Q2XP75TC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26191 (2,5-difluorophenol \| phenol derivative, 5) Show SMILES Oc1cc(F)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	8.70E+5	-17.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
Universita degli Studi di Firenze					More data for this Ligand-Target Pair