Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM178055'   

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))	BDBM178055 ([2-(4,5-dimethoxy-2-nitrophenyl)cyclopent-1-en-1-y...) Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13| Show InChI InChI=1S/C22H23NO7/c1-27-18-9-8-13(10-19(18)28-2)22(24)15-7-5-6-14(15)16-11-20(29-3)21(30-4)12-17(16)23(25)26/h8-12H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	n/a	578	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
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