Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292075'   

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))	BDBM50292075 ((Carboxymethyl-{2-[2-(2-{carboxymethyl-[(5-sulfamo...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C16H26N6O11S2/c17-35(30,31)16-20-19-15(34-16)18-11(23)7-21(8-12(24)25)1-3-32-5-6-33-4-2-22(9-13(26)27)10-14(28)29/h1-10H2,(H,24,25)(H,26,27)(H,28,29)(H2,17,30,31)(H,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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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