Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50025357'   

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))	BDBM50025357 (CHEMBL3337907) Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C20H20N4O4S2/c1-3-11-24-19(26)18-13(2)5-4-6-16(18)23-20(24)29-12-17(25)22-14-7-9-15(10-8-14)30(21,27)28/h3-10H,1,11-12H2,2H3,(H,22,25)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5133-40 (2014) Article DOI: 10.1016/j.bmc.2014.08.015 BindingDB Entry DOI: 10.7270/Q2QR4ZPS
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