BDBM50004506 6-Aminosaccharin::CHEMBL2016952::Saccharin derivative, 5

SMILES: Nc1ccc2C(=O)NS(=O)(=O)c2c1

InChI Key: InChIKey=SSRKZHLPNHLAKM-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50004506   

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 9 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sakarya University					Assay Description For the inhibition studies of saccharin, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for d...				J Enzyme Inhib Med Chem 29: 118-23 (2014) Article DOI: 10.3109/14756366.2012.757222 BindingDB Entry DOI: 10.7270/Q2WM1C9V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004506 (6-Aminosaccharin | CHEMBL2016952 | Saccharin deriv...) Show SMILES Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sakarya University					Assay Description For the inhibition studies of saccharin, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for d...				J Enzyme Inhib Med Chem 29: 118-23 (2014) Article DOI: 10.3109/14756366.2012.757222 BindingDB Entry DOI: 10.7270/Q2WM1C9V
					More data for this Ligand-Target Pair