Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50303031'   

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))	BDBM50303031 (CHEMBL570894 | N-Ethyl-N-((4S,6S)-6-methyl-7,7-dio...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ccc(CO[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H21N3O8S3/c1-3-20(17(22)13-6-4-12(5-7-13)10-29-21(23)24)15-8-11(2)31(25,26)18-14(15)9-16(30-18)32(19,27)28/h4-7,9,11,15H,3,8,10H2,1-2H3,(H2,19,27,28)/t11-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
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