SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 119.1
BDBM26196

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 2 (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	108	-39.8	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 2 (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	108	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 3 (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.70E+3	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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.20E+3	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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.37E+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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.91E+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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.50E+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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60E+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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.31E+5	-22.2	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 1 (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.31E+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 15 (Mus musculus)	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.34E+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 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 5A, mitochondrial (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.20E+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 5B, mitochondrial (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.57E+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 4 (Homo sapiens (Human))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.34E+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))	BDBM26196 (4-cyanophenol \| 4-hydroxybenzonitrile \| phenol der...) Show SMILES Oc1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.77E+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

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this search
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BDBM36284	BDBM26196	CHEBI PC cid PC sid	CHEBI PC cid PC sid PDB		-20	n/a	n/a	3.51	7	25
University of Cambridge	BDBM26196	CHEBI PC cid PC sid	CHEBI PC cid PC sid PDB		J Phys Chem B 114: 8606-15 (2010)