Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50475768'   

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))	BDBM50475768 (CHEMBL207005) Show SMILES NCCCC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C10H14Cl2N4O5S2/c11-8-5(22(14,18)19)4-6(23(15,20)21)10(9(8)12)16-7(17)2-1-3-13/h4H,1-3,13H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA2				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
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