Affinity Data by PDB ID

PDB code 4JSZ

Identical Ligands in BindingDB

Found 10 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 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Union Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method				J Med Chem 55: 3513-20 (2012) Article DOI: 10.1021/jm300203r BindingDB Entry DOI: 10.7270/Q2RX9D4X
Union Life Sciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
Artvin£oruh University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gebze Technical University Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
Gebze Technical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis 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 over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
Ondokuz Mayis University					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Cecen University Curated by ChEMBL					Assay Description Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis				Bioorg Med Chem 21: 1522-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.018 BindingDB Entry DOI: 10.7270/Q2NG4S0C
Agri Ibrahim Cecen University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1/2/5B, mitochondrial (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of crude dog red blood cell carbonic anhydrase				J Med Chem 36: 2134-41 (1993) BindingDB Entry DOI: 10.7270/Q2GX49N1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...				J Med Chem 59: 4245-56 (2016) Article DOI: 10.1021/acs.jmedchem.5b01643 BindingDB Entry DOI: 10.7270/Q2PV6NB2
Istituto Italiano di Tecnologia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	660	n/a	n/a	n/a	7.0	25
University of Pennsylvania					Assay Description The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...				J Am Chem Soc 128: 3011-8 (2006) Article DOI: 10.1021/ja057257n BindingDB Entry DOI: 10.7270/Q2RR1WGF
University of Pennsylvania					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (259/260 > 99%)^† (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 \| benzenesulfonamide \| hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.15E+6	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...				J Med Chem 59: 4245-56 (2016) Article DOI: 10.1021/acs.jmedchem.5b01643 BindingDB Entry DOI: 10.7270/Q2PV6NB2
Istituto Italiano di Tecnologia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

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