Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50125586'   

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))	BDBM50125586 (CHEMBL3623675) Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CSc2ccccc2)nn1 Show InChI InChI=1S/C19H15N3O2S/c1-13-9-19(23)24-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) Article DOI: 10.1016/j.bmc.2015.09.041 BindingDB Entry DOI: 10.7270/Q2X63PRB
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