Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50171022'   

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 12 (Homo sapiens (Human))	BDBM50171022 (CHEMBL181716 | N-[4-(aminosulfonyl)phenyl]-2-(4-me...) Show SMILES CN1CCN(CC1)NNC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H20N6O2S2/c1-17-6-8-18(9-7-17)16-15-12(21)14-10-2-4-11(5-3-10)22(13,19)20/h2-5,16H,6-9H2,1H3,(H2,13,19,20)(H2,14,15,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
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