Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50125678'   

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))	BDBM50125678 (CHEMBL3623672) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C18H14N4O5S/c19-28(24,25)16-6-3-14(4-7-16)22-10-13(20-21-22)11-26-15-5-1-12-2-8-18(23)27-17(12)9-15/h1-10H,11H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) Article DOI: 10.1016/j.bmc.2015.09.041 BindingDB Entry DOI: 10.7270/Q2X63PRB
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