Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292116'   

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))	BDBM50292116 (((2-Hydroxy-phenyl)-{2-[(2-hydroxy-phenyl)-(2-sulf...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(O)=O)c3ccccc3O)c3ccccc3O)cc2s1 Show InChI InChI=1S/C25H24N4O8S2/c26-39(35,36)25-27-17-10-9-16(13-22(17)38-25)37-24(34)15-29(19-6-2-4-8-21(19)31)12-11-28(14-23(32)33)18-5-1-3-7-20(18)30/h1-10,13,30-31H,11-12,14-15H2,(H,32,33)(H2,26,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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 Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
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