Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50211833'   

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))	BDBM50211833 (4-(2-((1-methyl-1H-pyrrol-2-yl)methyleneamino)ethy...) Show SMILES Cn1cccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O2S/c1-17-10-2-3-13(17)11-16-9-8-12-4-6-14(7-5-12)20(15,18)19/h2-7,10-11H,8-9H2,1H3,(H2,15,18,19)/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Inhibition of human carbonic anhydrase 2				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
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