Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084511'   

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))	BDBM50084511 (2,4,6-Trimethyl-1-[(3-methyl-5-sulfamoyl-3H-[1,3,4...) Show SMILES Cc1cc(C)[n+](CC(=O)N=c2sc(nn2C)S(N)(=O)=O)c(C)c1 |w:9.8| Show InChI InChI=1S/C13H18N5O3S2/c1-8-5-9(2)18(10(3)6-8)7-11(19)15-12-17(4)16-13(22-12)23(14,20)21/h5-6H,7H2,1-4H3,(H2,14,20,21)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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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