Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292154'   

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))	BDBM50292154 (((2-{2-[2-(Carboxymethyl-{[2-(5-sulfamoyl-[1,3,4]t...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1 Show InChI InChI=1S/C24H38N12O14S4/c25-53(45,46)23-33-31-21(51-23)29-15(37)1-3-27-17(39)11-35(13-19(41)42)5-7-49-9-10-50-8-6-36(14-20(43)44)12-18(40)28-4-2-16(38)30-22-32-34-24(52-22)54(26,47)48/h1-14H2,(H,27,39)(H,28,40)(H,41,42)(H,43,44)(H2,25,45,46)(H2,26,47,48)(H,29,31,37)(H,30,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	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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