BindingDB PrimarySearch

BDBM50190241 6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide::CHEMBL215916

SMILES: NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S

InChI Key: InChIKey=GODDFNDSOAANHO-UHFFFAOYSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50190241
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190241 (6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
Medical University of Gdansk Curated by ChEMBL					More data for this Ligand-Target Pair