Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50174037'   

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))	BDBM50174037 (4-{2-[3-(4-Sulfamoyl-cyclohexa-1,5-dienyl)-thioure...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C15H18N4O4S3/c16-25(20,21)13-5-1-11(2-6-13)9-10-18-15(24)19-12-3-7-14(8-4-12)26(17,22)23/h1-8H,9-10H2,(H2,16,20,21)(H2,17,22,23)(H2,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
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