Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50344556'   

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))	BDBM50344556 (4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
U.O. Oculistica Az. USL 3 Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 21: 3216-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ
					More data for this Ligand-Target Pair