Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50155544'   

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))	BDBM50155544 (5-[4-(3-Morpholin-4-yl-thioureido)-benzenesulfonyl...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)s1 Show InChI InChI=1S/C13H17N7O5S4/c14-28(21,22)13-17-16-12(27-13)19-29(23,24)10-3-1-9(2-4-10)15-11(26)18-20-5-7-25-8-6-20/h1-4H,5-8H2,(H,16,19)(H2,14,21,22)(H2,15,18,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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 Binding affinity towards human cloned carbonic anhydrase II				Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4
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