Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50513670'   

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))	BDBM50513670 (CHEMBL4526109) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(\C)=N\Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O2S/c1-15(21-22-17-5-9-19(10-6-17)27(20,25)26)16-3-7-18(8-4-16)24-13-11-23(2)12-14-24/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
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