Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50256787'   

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))	BDBM50256787 (CHEMBL4105131) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(I)cc2C(O)=O)cc1 Show InChI InChI=1S/C23H16IN3O7S/c24-14-4-8-19(18(10-14)23(31)32)26-20(28)13-3-7-16-17(9-13)22(30)27(21(16)29)11-12-1-5-15(6-2-12)35(25,33)34/h1-10H,11H2,(H,26,28)(H,31,32)(H2,25,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2524-2529 (2017) Article DOI: 10.1016/j.bmc.2017.03.017 BindingDB Entry DOI: 10.7270/Q2TX3HTG
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