Affinity Data by PDB ID

PDB code 3N4B

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))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
Universita` 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))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit� degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	96	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 recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
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))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...				ACS Med Chem Lett 8: 963-968 (2017) Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human CA2 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye bas...				J Med Chem 61: 6328-6338 (2018) Article DOI: 10.1021/acs.jmedchem.8b00770 BindingDB Entry DOI: 10.7270/Q2639SDT
University of Florence Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	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 recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...				Bioorg Med Chem 25: 2569-2576 (2017) Article DOI: 10.1016/j.bmc.2017.03.027 BindingDB Entry DOI: 10.7270/Q22F7QKP
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))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 3043-3051 (2016) Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC
Cairo University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 976-81 (2016) Article DOI: 10.1016/j.bmc.2016.01.019 BindingDB Entry DOI: 10.7270/Q2445P9F
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide \| 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 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 Similars	MMDB Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
University of Cagliari 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