Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50140310'   

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))	BDBM50140310 (CHEMBL3758730) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) Article DOI: 10.1016/j.bmc.2016.01.020 BindingDB Entry DOI: 10.7270/Q2KK9DNN
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