Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50135613'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50135613 (3-[3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-...) Show SMILES CN(C)CCOCCOC(=O)c1cccc(c1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C16H23N5O7S3/c1-20(2)7-8-27-9-10-28-14(22)12-5-4-6-13(11-12)31(25,26)19-15-21(3)18-16(29-15)30(17,23)24/h4-6,11H,7-10H2,1-3H3,(H2,17,23,24)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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
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