BDBM50292039 (2-{[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-ethylamino)-acetic acid::CHEMBL418402

SMILES: NS(=O)(=O)c1nc2ccc(OCCOC(=O)CNCCNCC(O)=O)cc2s1

InChI Key: InChIKey=ICVMJXJRTYOTJH-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 = 50292039   

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))	BDBM50292039 ((2-{[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxyca...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CNCCNCC(O)=O)cc2s1 Show InChI InChI=1S/C15H20N4O7S2/c16-28(23,24)15-19-11-2-1-10(7-12(11)27-15)25-5-6-26-14(22)9-18-4-3-17-8-13(20)21/h1-2,7,17-18H,3-6,8-9H2,(H,20,21)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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))	BDBM50292039 ((2-{[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxyca...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CNCCNCC(O)=O)cc2s1 Show InChI InChI=1S/C15H20N4O7S2/c16-28(23,24)15-19-11-2-1-10(7-12(11)27-15)25-5-6-26-14(22)9-18-4-3-17-8-13(20)21/h1-2,7,17-18H,3-6,8-9H2,(H,20,21)(H2,16,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50292039 ((2-{[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxyca...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CNCCNCC(O)=O)cc2s1 Show InChI InChI=1S/C15H20N4O7S2/c16-28(23,24)15-19-11-2-1-10(7-12(11)27-15)25-5-6-26-14(22)9-18-4-3-17-8-13(20)21/h1-2,7,17-18H,3-6,8-9H2,(H,20,21)(H2,16,23,24)	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	43	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