Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM246532'   

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 1 (Homo sapiens (Human))	BDBM246532 (Saccharin derivative, 6f) Show SMILES Clc1ccc(NC(=O)Nc2ccc3C(=O)NS(=O)(=O)c3c2)cc1 Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-3-9(4-2-8)16-14(20)17-10-5-6-11-12(7-10)23(21,22)18-13(11)19/h1-7H,(H,18,19)(H2,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sakarya University					Assay Description For the inhibition studies of saccharin, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for d...				J Enzyme Inhib Med Chem 29: 118-23 (2014) Article DOI: 10.3109/14756366.2012.757222 BindingDB Entry DOI: 10.7270/Q2WM1C9V
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