Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50344553'   

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))	BDBM50344553 (2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...) Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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