Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50171027'   

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))	BDBM50171027 (CHEMBL178664 | Thioureido sulfonamide) Show SMILES NCCCN1CCN(CCCNNC(=S)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C17H31N7O2S2/c18-7-1-9-23-11-13-24(14-12-23)10-2-8-20-22-17(27)21-15-3-5-16(6-4-15)28(19,25)26/h3-6,20H,1-2,7-14,18H2,(H2,19,25,26)(H2,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
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