Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50101340'   

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))	BDBM50101340 (4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1 Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase II (hCA -II)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
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