Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084571'   

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))	BDBM50084571 (2,4,6-Trimethyl-1-[2-(2-sulfamoyl-benzothiazol-6-y...) Show SMILES Cc1cc(C)[n+](CC(=O)OCCOc2ccc3nc(sc3c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C19H22N3O5S2/c1-12-8-13(2)22(14(3)9-12)11-18(23)27-7-6-26-15-4-5-16-17(10-15)28-19(21-16)29(20,24)25/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,24,25)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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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