Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50022098'   

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))	BDBM50022098 (CHEMBL3298352) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c2c1N=CN1NC(=O)CN=C21)-c1ccc(Br)cc1 |c:17,t:24| Show InChI InChI=1S/C20H15BrN6O3S/c21-13-3-1-12(2-4-13)16-10-26(14-5-7-15(8-6-14)31(22,29)30)19-18(16)20-23-9-17(28)25-27(20)11-24-19/h1-8,10-11H,9H2,(H,25,28)(H2,22,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 3684-95 (2014) Article DOI: 10.1016/j.bmc.2014.05.009 BindingDB Entry DOI: 10.7270/Q2N87CBZ
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