Affinity Data by PDB ID

PDB code 3SBI

Identical Ligands in BindingDB

Found 9 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))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.60E+6	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00800	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
Vilnius University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
Vilnius University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00800	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate consta...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
Vilnius University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0170	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
Vilnius University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50380148 (CHEMBL2011156 \| carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
Vilnius University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)

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