Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50019571'   

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))	BDBM50019571 (CHEMBL3291111) Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C15H13Cl2N3O4S/c1-8-2-4-9(5-3-8)14(21)19-20-15(22)10-6-13(25(18,23)24)12(17)7-11(10)16/h2-7H,1H3,(H,19,21)(H,20,22)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
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