Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50043908'   

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))	BDBM50043908 (3-(2-Isobutylamino-ethyl)-4,4-dioxo-1,2,3,4-tetrah...) Show SMILES CC(C)CNCCC1CNc2cc(sc2S1(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C12H21N3O4S3/c1-8(2)6-14-4-3-9-7-15-10-5-11(22(13,18)19)20-12(10)21(9,16)17/h5,8-9,14-15H,3-4,6-7H2,1-2H3,(H2,13,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)				J Med Chem 37: 240-7 (1994) BindingDB Entry DOI: 10.7270/Q2N29XKD
					More data for this Ligand-Target Pair