Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084525'   

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))	BDBM50084525 (2,6-Dimethyl-4-phenyl-1-[(5-sulfamoyl-[1,3,4]thiad...) Show SMILES Cc1cc(cc(C)[n+]1CC(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H17N5O3S2/c1-11-8-14(13-6-4-3-5-7-13)9-12(2)22(11)10-15(23)19-16-20-21-17(26-16)27(18,24)25/h3-9H,10H2,1-2H3,(H2-,18,19,20,23,24,25)/p+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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