BDBM50094430 2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester::CHEMBL140616

SMILES: NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1

InChI Key: InChIKey=GCVNOSTYUVURLK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50094430   

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 2 (Homo sapiens (Human))	BDBM50094430 (2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Show InChI InChI=1S/C16H9F5N2O5S2/c17-10-9(11(18)13(20)14(21)12(10)19)15(24)28-4-3-27-6-1-2-7-8(5-6)29-16(23-7)30(22,25)26/h1-2,5H,3-4H2,(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase II (CA2)				J Med Chem 43: 4542-51 (2000) BindingDB Entry DOI: 10.7270/Q2BV7HBP
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50094430 (2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Show InChI InChI=1S/C16H9F5N2O5S2/c17-10-9(11(18)13(20)14(21)12(10)19)15(24)28-4-3-27-6-1-2-7-8(5-6)29-16(23-7)30(22,25)26/h1-2,5H,3-4H2,(H2,22,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes				J Med Chem 43: 4542-51 (2000) BindingDB Entry DOI: 10.7270/Q2BV7HBP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50094430 (2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1 Show InChI InChI=1S/C16H9F5N2O5S2/c17-10-9(11(18)13(20)14(21)12(10)19)15(24)28-4-3-27-6-1-2-7-8(5-6)29-16(23-7)30(22,25)26/h1-2,5H,3-4H2,(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase I (CA1)				J Med Chem 43: 4542-51 (2000) BindingDB Entry DOI: 10.7270/Q2BV7HBP
					More data for this Ligand-Target Pair