Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50013049'   

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))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
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