Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50245752'   

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))	BDBM50245752 (CHEMBL4098958) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
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