Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50351136'   

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))	BDBM50351136 (CHEMBL1817904) Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)| Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 46: 4403-10 (2011) Article DOI: 10.1016/j.ejmech.2011.07.011 BindingDB Entry DOI: 10.7270/Q2RF5VDJ
					More data for this Ligand-Target Pair