Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50354335'   

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))	BDBM50354335 (CHEMBL1836634) Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2nnn(c2C#CCO)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C26H30N4O12S2/c1-14(32)38-12-22-23(39-15(2)33)24(40-16(3)34)25(41-17(4)35)26(42-22)43-13-20-21(6-5-11-31)30(29-28-20)18-7-9-19(10-8-18)44(27,36)37/h7-10,22-26,31H,11-13H2,1-4H3,(H2,27,36,37)/t22-,23+,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by CO2 hydration based stopped flow assay				J Med Chem 54: 6905-18 (2011) Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ
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