Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50003244'   

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 2 (Homo sapiens (Human))	BDBM50003244 (4-(3-Diethylaminomethyl-4-hydroxy-benzenesulfonyl)...) Show SMILES CCN(CC)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O Show InChI InChI=1S/C15H20N2O6S2/c1-3-17(4-2)9-11-7-12(5-6-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase II				J Med Chem 35: 3822-31 (1992) BindingDB Entry DOI: 10.7270/Q2ZG6SV4
					More data for this Ligand-Target Pair