Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50004507'   

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))	BDBM50004507 (CHEMBL3233387) Show SMILES [N-]=[N+]=Nc1ccc2C(=O)NS(=O)(=O)c2c1 Show InChI InChI=1S/C7H4N4O3S/c8-11-9-4-1-2-5-6(3-4)15(13,14)10-7(5)12/h1-3H,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
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