Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50109157'   

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))	BDBM50109157 (CHEMBL3601538) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair