Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50022103'   

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))	BDBM50022103 (CHEMBL3298839) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1ncn1nc3c(nc4ccccc34)nc21 Show InChI InChI=1S/C26H16BrN7O2S/c27-16-7-5-15(6-8-16)20-13-33(17-9-11-18(12-10-17)37(28,35)36)25-22(20)26-31-24-23(32-34(26)14-29-25)19-3-1-2-4-21(19)30-24/h1-14H,(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.5	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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