Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50004340'   

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))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
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