Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM91711'   

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))	BDBM91711 (Sulfonamide, 13) Show SMILES NS(=O)(=O)c1cc(c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C24H22Cl2N6O12S6/c25-17-9-19(23(47(29,37)38)11-21(17)45(27,33)34)31-49(41,42)15-5-1-13(2-6-15)14-3-7-16(8-4-14)50(43,44)32-20-10-18(26)22(46(28,35)36)12-24(20)48(30,39)40/h1-12,31-32H,(H2,27,33,34)(H2,28,35,36)(H2,29,37,38)(H2,30,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
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