Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50427222'   

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))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2303-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.081 BindingDB Entry DOI: 10.7270/Q2TX3H2M
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degliStudi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay				Bioorg Med Chem 23: 1728-34 (2015) Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay				J Med Chem 56: 1761-71 (2013) Article DOI: 10.1021/jm4000616 BindingDB Entry DOI: 10.7270/Q2CF9RFV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biochimica delle Proteine - CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 4537-43 (2014) Article DOI: 10.1016/j.bmc.2014.07.048 BindingDB Entry DOI: 10.7270/Q2959K68
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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 carbonic anhydrase-2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 2939-46 (2014) Article DOI: 10.1016/j.bmc.2014.04.006 BindingDB Entry DOI: 10.7270/Q2WW7K7G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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 CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 26: 1253-9 (2016) Article DOI: 10.1016/j.bmcl.2016.01.023 BindingDB Entry DOI: 10.7270/Q21Z4685
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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 by stopped flow CO2 hydrase assay method				Bioorg Med Chem Lett 25: 3550-5 (2015) Article DOI: 10.1016/j.bmcl.2015.06.079 BindingDB Entry DOI: 10.7270/Q23B61XS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem 25: 3555-3561 (2017) Article DOI: 10.1016/j.bmc.2017.05.007 BindingDB Entry DOI: 10.7270/Q20Z75PZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	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 recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1941-6 (2016) Article DOI: 10.1016/j.bmcl.2016.03.014 BindingDB Entry DOI: 10.7270/Q27946J2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	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 anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1115-20 (2016) Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50427222 (CHEMBL2324864) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H17N3O7S2/c16-26(22,23)14-4-1-11(2-5-14)7-8-17-27(24,25)15-6-3-13(18(20)21)9-12(15)10-19/h1-6,9,17,19H,7-8,10H2,(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recep Tayyip Erdogan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1821-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.032 BindingDB Entry DOI: 10.7270/Q2GM896M
					More data for this Ligand-Target Pair