Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292096'   

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))	BDBM50292096 (CHEMBL36447 | [Carboxymethyl-(2-{2-[2-(carboxymeth...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C19H31N7O12S2/c20-40(35,36)19-24-23-18(39-19)22-13(27)1-2-21-14(28)9-25(10-15(29)30)3-5-37-7-8-38-6-4-26(11-16(31)32)12-17(33)34/h1-12H2,(H,21,28)(H,29,30)(H,31,32)(H,33,34)(H2,20,35,36)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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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