Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50051113'   

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))	BDBM50051113 (CHEMBL3310911) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)13-8-6-12(7-9-13)14(17)15-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 3982-8 (2014) Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH
					More data for this Ligand-Target Pair