Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292027'   

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))	BDBM50292027 (CHEMBL34710 | [Carboxymethyl-(2-{carboxymethyl-[(2...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C17H21N5O9S2/c18-33(30,31)17-20-11-2-1-10(5-12(11)32-17)19-13(23)6-21(7-14(24)25)3-4-22(8-15(26)27)9-16(28)29/h1-2,5H,3-4,6-9H2,(H,19,23)(H,24,25)(H,26,27)(H,28,29)(H2,18,30,31)	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 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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