Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50349114'   

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))	BDBM50349114 (CHEMBL1807503) Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
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