Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50135606'   

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))	BDBM50135606 (CHEMBL99337 | N-(2-Diethylamino-ethyl)-4-[3-methyl...) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C16H24N6O5S3/c1-4-22(5-2)11-10-18-14(23)12-6-8-13(9-7-12)30(26,27)20-15-21(3)19-16(28-15)29(17,24)25/h6-9H,4-5,10-11H2,1-3H3,(H,18,23)(H2,17,24,25)/b20-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8
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