BDBM50135617 3-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-benzoic acid 2-(2-dimethylamino-ethoxy)-ethyl ester::CHEMBL99257

SMILES: CN(C)CCOCCOC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=VICPJUSXWWJNBZ-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 = 50135617   

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))	BDBM50135617 (3-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-be...) Show SMILES CN(C)CCOCCOC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H21N5O7S3/c1-20(2)6-7-26-8-9-27-13(21)11-4-3-5-12(10-11)30(24,25)19-14-17-18-15(28-14)29(16,22)23/h3-5,10H,6-9H2,1-2H3,(H,17,19)(H2,16,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50135617 (3-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-be...) Show SMILES CN(C)CCOCCOC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H21N5O7S3/c1-20(2)6-7-26-8-9-27-13(21)11-4-3-5-12(10-11)30(24,25)19-14-17-18-15(28-14)29(16,22)23/h3-5,10H,6-9H2,1-2H3,(H,17,19)(H2,16,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung				Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50135617 (3-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-be...) Show SMILES CN(C)CCOCCOC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H21N5O7S3/c1-20(2)6-7-26-8-9-27-13(21)11-4-3-5-12(10-11)30(24,25)19-14-17-18-15(28-14)29(16,22)23/h3-5,10H,6-9H2,1-2H3,(H,17,19)(H2,16,22,23)	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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8
					More data for this Ligand-Target Pair