Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50207842'   

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))	BDBM50207842 (CHEMBL3939285) Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1 Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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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