Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50326108'   

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))	BDBM50326108 (1,4-Dihydro-1-(2,4-dinitrophenyl)-4-oxo-3-pyridine...) Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C11H8N4O7S/c12-23(21,22)11-6-13(4-3-10(11)16)8-2-1-7(14(17)18)5-9(8)15(19)20/h1-6H,(H2,12,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.10E+3	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 CA1 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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