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SMILES: COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=WGTNOJQCRQOJEO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50117677   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50117677 (CHEMBL3613778) Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50117677 (CHEMBL3613778) Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50117677 (CHEMBL3613778) Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50117677 (CHEMBL3613778) Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50117677 (CHEMBL3613778) Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair