Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50513668'   

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))	BDBM50513668 (CHEMBL4571534) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	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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