Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50038969'   

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))	BDBM50038969 ((2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-a...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25N5O8S/c23-36(33,34)17-8-6-16(7-9-17)22(32)27-12-20(30)25-10-18(28)24-11-19(29)26-13-21(31)35-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,24,28)(H,25,30)(H,26,29)(H,27,32)(H2,23,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Dissociation constant against human Carbonic anhydrase II (HCA II)				J Med Chem 37: 2100-5 (1994) BindingDB Entry DOI: 10.7270/Q2TX3DDV
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