Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292119'   

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))	BDBM50292119 (CHEMBL284500 | [(2-{2-[2-(Bis-carboxymethyl-amino)...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C21H28N4O12S2/c22-39(33,34)21-23-15-2-1-14(9-16(15)38-21)37-20(32)13-25(12-19(30)31)4-6-36-8-7-35-5-3-24(10-17(26)27)11-18(28)29/h1-2,9H,3-8,10-13H2,(H,26,27)(H,28,29)(H,30,31)(H2,22,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	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)