Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM12945'   

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))	BDBM12945 ((1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyox...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C17H22N4O9S/c1-28-17-15(24)14(23)13(22)12(30-17)7-21-6-10(19-20-21)8-29-16(25)9-2-4-11(5-3-9)31(18,26)27/h2-6,12-15,17,22-24H,7-8H2,1H3,(H2,18,26,27)/t12-,13-,14+,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
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