Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084552'   

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))	BDBM50084552 (2,6-Diethyl-4-phenyl-1-[2-(2-sulfamoyl-benzothiazo...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)OCCOc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C26H28N3O5S2/c1-3-20-14-19(18-8-6-5-7-9-18)15-21(4-2)29(20)17-25(30)34-13-12-33-22-10-11-23-24(16-22)35-26(28-23)36(27,31)32/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H2,27,31,32)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II (CA2)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
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