Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50088779'   

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))	BDBM50088779 (CHEMBL418163 | N,N-dialkylthio-carbonylsulfenylami...) Show SMILES CCN(SC(=S)N1CCOCC1)C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O5S5/c1-3-18(26-15(24)17-4-6-23-7-5-17)12-8-10(2)27(19,20)14-11(12)9-13(25-14)28(16,21)22/h9-10,12H,3-8H2,1-2H3,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
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