Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM193736'   

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))	BDBM193736 (1-(3-((2-Hydroxynaphthalen-1-yl)diazenyl)phenyl)-5...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)Nc2nnc(s2)S(N)(=O)=O)-c2ccccc2)-c2cccc(c2)\N=N\c2c(O)ccc3ccccc23)s1 Show InChI InChI=1S/C31H22N12O7S4/c32-53(47,48)30-40-38-28(51-30)34-26(45)22-24(27(46)35-29-39-41-31(52-29)54(33,49)50)42-43(25(22)17-8-2-1-3-9-17)19-11-6-10-18(15-19)36-37-23-20-12-5-4-7-16(20)13-14-21(23)44/h1-15,44H,(H2,32,47,48)(H2,33,49,50)(H,34,38,45)(H,35,39,46)/b37-36+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
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