Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50513669'   

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))	BDBM50513669 (CHEMBL4476240) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C18H22N4O2S/c1-14(15-4-8-17(9-5-15)22-12-2-3-13-22)20-21-16-6-10-18(11-7-16)25(19,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,19,23,24)/b20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	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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