Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50146761'   

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))	BDBM50146761 (5-(3-Pentafluorophenyl-ureido)-[1,3,4]thiadiazole-...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1 Show InChI InChI=1S/C9H4F5N5O3S2/c10-1-2(11)4(13)6(5(14)3(1)12)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h(H2,15,21,22)(H2,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60	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 In vitro inhibitory activity against human carbonic anhydrase II (hCAII)				J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC
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