Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50500680'   

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))	BDBM50500680 (CHEMBL3752390) Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair