Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50437929'   

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))	BDBM50437929 (CHEMBL2408560) Show SMILES CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:14.16| Show InChI InChI=1S/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31-23)15-25-16-10-12-17(13-11-16)32(28,29)26-21-9-5-6-14-24-21/h3-15,23,25H,2H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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 membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
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