Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50531528'   

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))	BDBM50531528 (CHEMBL4441149) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccncc1 Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
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