Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50088759'   

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))	BDBM50088759 (CHEMBL13410 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1cc(c(NSC(=S)N2CCOCC2)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C11H15ClN4O5S4/c12-7-5-8(15-23-11(22)16-1-3-21-4-2-16)10(25(14,19)20)6-9(7)24(13,17)18/h5-6,15H,1-4H2,(H2,13,17,18)(H2,14,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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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