Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084509'   

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))	BDBM50084509 (2,6-Diethyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C26H28N6O5S3/c1-4-21-15-19(18-9-7-6-8-10-18)16-22(5-2)32(21)17-24(33)28-20-11-13-23(14-12-20)40(36,37)30-25-31(3)29-26(38-25)39(27,34)35/h6-16H,4-5,17H2,1-3H3,(H2-,27,28,33,34,35)/p+1/b30-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II (CA2)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
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