Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50428400'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428400 (CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	395	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Ataturk University					Assay Description An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 294-8 (2013) Article DOI: 10.3109/14756366.2012.658788 BindingDB Entry DOI: 10.7270/Q2TH8KKX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428400 (CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428400 (CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428400 (CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 over a ...				J Enzyme Inhib Med Chem 27: 818-24 (2012) Article DOI: 10.3109/14756366.2011.617745 BindingDB Entry DOI: 10.7270/Q2G73CKP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428400 (CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay				Bioorg Med Chem Lett 24: 3422-5 (2014) Article DOI: 10.1016/j.bmcl.2014.05.086 BindingDB Entry DOI: 10.7270/Q20003Q8
					More data for this Ligand-Target Pair