BDBM50292043 CHEMBL289401::{Carboxymethyl-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC(O)=O)CC(O)=O)cc2s1

InChI Key: InChIKey=VKJHENWKCUYAKS-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 = 50292043   

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))	BDBM50292043 (CHEMBL289401 | {Carboxymethyl-[2-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C15H17N3O9S2/c16-29(24,25)15-17-10-2-1-9(5-11(10)28-15)26-3-4-27-14(23)8-18(6-12(19)20)7-13(21)22/h1-2,5H,3-4,6-8H2,(H,19,20)(H,21,22)(H2,16,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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 Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50292043 (CHEMBL289401 | {Carboxymethyl-[2-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C15H17N3O9S2/c16-29(24,25)15-17-10-2-1-9(5-11(10)28-15)26-3-4-27-14(23)8-18(6-12(19)20)7-13(21)22/h1-2,5H,3-4,6-8H2,(H,19,20)(H,21,22)(H2,16,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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 Inhibitory activity against bovine carbonic anhydrase IV				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50292043 (CHEMBL289401 | {Carboxymethyl-[2-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C15H17N3O9S2/c16-29(24,25)15-17-10-2-1-9(5-11(10)28-15)26-3-4-27-14(23)8-18(6-12(19)20)7-13(21)22/h1-2,5H,3-4,6-8H2,(H,19,20)(H,21,22)(H2,16,24,25)	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	44	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 Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair