Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50504759'   

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))	BDBM50504759 (CHEMBL4587956) Show SMILES Nc1nc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H16N8O5S2/c16-13-20-14(22-23(13)10-3-7-12(8-4-10)30(18,27)28)21-15(24)19-9-1-5-11(6-2-9)29(17,25)26/h1-8H,(H2,17,25,26)(H2,18,27,28)(H4,16,19,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
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