Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50207809'   

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))	BDBM50207809 (CHEMBL3948061) Show SMILES NS(=O)(=O)c1ccc(SCc2cccc(c2)-c2ccccc2)s1 Show InChI InChI=1S/C17H15NO2S3/c18-23(19,20)17-10-9-16(22-17)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Riga Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N
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