Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50205564'   

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))	BDBM50205564 (CHEMBL3908650) Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1 |c:6,t:12| Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-3-5-11(6-4-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
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