Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50080145'   

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))	BDBM50080145 (CHEMBL3416241) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 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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