Affinity Data by PDB ID

PDB code 4E3G

Identical Ligands in BindingDB

Found 20 hits Enzyme Inhibition Constant Data
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 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26194 (4-Hydroxybenzoate, III \| 4-hydroxybenzoic acid \| C...) Show SMILES OC(=O)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	870	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 CA2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26194 (4-Hydroxybenzoate, III \| 4-hydroxybenzoic acid \| C...) Show SMILES OC(=O)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.06E+4	-28.4	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				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26194 (4-Hydroxybenzoate, III \| 4-hydroxybenzoic acid \| C...) Show SMILES OC(=O)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.06E+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 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				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26194 (4-Hydroxybenzoate, III \| 4-hydroxybenzoic acid \| C...) Show SMILES OC(=O)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.75E+5	-18.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...				Chem Biol Drug Des 75: 515-20 (2010) Article DOI: 10.1111/j.1747-0285.2010.00965.x BindingDB Entry DOI: 10.7270/Q23F4N46
Ataturk University					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.90E+7	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 Inhibitory constant against carbonic anhydrase II				Bioorg Med Chem Lett 14: 4563-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.073 BindingDB Entry DOI: 10.7270/Q2H995ZD
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.83E+8	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 Inhibitory activity against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 567-71 (2005) Article DOI: 10.1016/j.bmcl.2004.11.056 BindingDB Entry DOI: 10.7270/Q22R3SDV
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5				Bioorg Med Chem 19: 1847-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.015 BindingDB Entry DOI: 10.7270/Q2QN672R
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli				Bioorg Med Chem Lett 14: 5435-9 (2004) Checked by Author Article DOI: 10.1016/j.bmcl.2004.07.086 BindingDB Entry DOI: 10.7270/Q2SN09QF
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 constant of anion against human carbonic anhydrase isozyme hCA II				Bioorg Med Chem Lett 14: 5769-73 (2004) Article DOI: 10.1016/j.bmcl.2004.09.063 BindingDB Entry DOI: 10.7270/Q24X58JJ
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 23: 256-60 (2012) Article DOI: 10.1016/j.bmcl.2012.10.103 BindingDB Entry DOI: 10.7270/Q2ZC846G
Kochi Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 Inhibitory constant against carbonic anhydrase II				Bioorg Med Chem Lett 14: 4563-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.073 BindingDB Entry DOI: 10.7270/Q2H995ZD
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Scientifique de Monaco Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 710-4 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2010.11.124 BindingDB Entry DOI: 10.7270/Q26D5T7K
Centre Scientifique de Monaco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3				Bioorg Med Chem Lett 21: 3591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.04.105 BindingDB Entry DOI: 10.7270/Q2930TGN
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk curves				Bioorg Med Chem 19: 744-8 (2011) Article DOI: 10.1016/j.bmc.2010.12.033 BindingDB Entry DOI: 10.7270/Q2ST7QT4
Ondokuz Mayis University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 Lett 19: 1155-8 (2009) Article DOI: 10.1016/j.bmcl.2008.12.082 BindingDB Entry DOI: 10.7270/Q2KD1W79
Universita degli Studi di Firenze					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 23: 1626-30 (2013) Article DOI: 10.1016/j.bmcl.2013.01.087 BindingDB Entry DOI: 10.7270/Q23X8806
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	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 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 23: 1636-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.084 BindingDB Entry DOI: 10.7270/Q2VD70TX
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>2.00E+8	>-3.92	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
Universit£ degli Studi di Firenze					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM26992 (CHEMBL183495 \| SO4(2-) \| SODIUM SULFATE \| sulfate ...) Show SMILES [O-]S([O-])(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>3.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biochimica delle Proteine (IBP) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1465-9 (2013) Article DOI: 10.1016/j.bmc.2012.09.047 BindingDB Entry DOI: 10.7270/Q20R9QQQ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output