BDBM50200450 CHEMBL394021::acetic acid (2S,3S,4R,5R)-4,5-diacetoxy-2-{4-[(4-sulfamoyl-benzoylamino)-methyl]-[1,2,3]triazol-1-yl}-tetrahydro-pyran-3-yl ester

SMILES: CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1

InChI Key: InChIKey=JUJFWWLHZVXWIN-BNDYYXHWSA-N

Data: 2 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 2 hits for monomerid = 50200450   

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))	BDBM50200450 (CHEMBL394021 | acetic acid (2S,3S,4R,5R)-4,5-diace...) Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C21H25N5O10S/c1-11(27)34-17-10-33-21(19(36-13(3)29)18(17)35-12(2)28)26-9-15(24-25-26)8-23-20(30)14-4-6-16(7-5-14)37(22,31)32/h4-7,9,17-19,21H,8,10H2,1-3H3,(H,23,30)(H2,22,31,32)/t17-,18-,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50200450 (CHEMBL394021 | acetic acid (2S,3S,4R,5R)-4,5-diace...) Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C21H25N5O10S/c1-11(27)34-17-10-33-21(19(36-13(3)29)18(17)35-12(2)28)26-9-15(24-25-26)8-23-20(30)14-4-6-16(7-5-14)37(22,31)32/h4-7,9,17-19,21H,8,10H2,1-3H3,(H,23,30)(H2,22,31,32)/t17-,18-,19+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	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 CA14 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair