Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50167410'   

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))	BDBM50167410 (1N-amino(imino)methyl-4-[1-(6-methyl-4-oxo-4H-3-ch...) Show SMILES Cc1ccc2occ(C=Nc3ccc(cc3)S(=O)(=O)NC(N)=N)c(=O)c2c1 |w:8.7| Show InChI InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
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