BDBM50339443 6'-Sulfamoyl-alpha,beta-maltose::CHEMBL1688316

SMILES: NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=HVJNDQGZUPKSQO-QUYVBRFLSA-N

Data: 4 KI

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 4 hits for monomerid = 50339443   

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 12 (Homo sapiens (Human))	BDBM50339443 (6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	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 carbonic anhydrase 12 catalytic domain by CO2 hydration assay				J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50339443 (6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1	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	497	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 carbonic anhydrase 9 catalytic domain by CO2 hydration assay				J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50339443 (6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	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 carbonic anhydrase 2 by CO2 hydration assay				J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50339443 (6'-Sulfamoyl-alpha,beta-maltose | CHEMBL1688316) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H23NO13S/c13-27(21,22)23-2-4-5(15)6(16)9(19)12(25-4)26-10-3(1-14)24-11(20)8(18)7(10)17/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1	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	8.75E+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 carbonic anhydrase 1 by CO2 hydration assay				J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX
					More data for this Ligand-Target Pair