Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50211591'   

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))	BDBM50211591 (CHEMBL3890026) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15BrCl2N4O5S/c24-13-3-1-12(2-4-13)21(31)29-23-19(20(30-35-23)17-10-5-14(25)11-18(17)26)22(32)28-15-6-8-16(9-7-15)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
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