Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50092600'   

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))	BDBM50092600 (CHEMBL3586214) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
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