Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292045'   

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))	BDBM50292045 ((Carboxymethyl-{2-[carboxymethyl-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C17H20N4O10S2/c18-33(29,30)17-19-11-2-1-10(5-12(11)32-17)31-16(28)9-21(8-15(26)27)4-3-20(6-13(22)23)7-14(24)25/h1-2,5H,3-4,6-9H2,(H,22,23)(H,24,25)(H,26,27)(H2,18,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair				3D Structure (docked)