Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50508877'   

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))	BDBM50508877 (CHEMBL4464391) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2cccc(Br)c2)=N\O)s1 Show InChI InChI=1S/C11H10BrN5O4S2/c12-7-3-1-2-6(4-7)5-8(17-19)9(18)14-10-15-16-11(22-10)23(13,20)21/h1-4,19H,5H2,(H2,13,20,21)(H,14,15,18)/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
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