Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50326110'   

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 9 (Homo sapiens (Human))	BDBM50326110 (1,4-Dihydro-1-(7-nitrofurazon-4-yl)-4-oxo-3-pyridi...) Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc([N+]([O-])=O)c2[n-][o+]nc12 Show InChI InChI=1S/C11H7N5O6S/c12-23(20,21)9-5-15(4-3-8(9)17)6-1-2-7(16(18)19)11-10(6)13-22-14-11/h1-5H,(H2,12,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 45: 3656-61 (2010) Article DOI: 10.1016/j.ejmech.2010.05.011 BindingDB Entry DOI: 10.7270/Q2SF2WCP
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