Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM246589'   

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 1 (Homo sapiens (Human))	BDBM246589 (N-((4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphe...) Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cc(OC)c(OC)cc1C Show InChI InChI=1S/C19H25NO6S/c1-12-9-16(24-3)18(26-5)11-14(12)19(20-27(6,21)22)13-7-8-15(23-2)17(10-13)25-4/h7-11,19-20H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.86E+4	-24.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Atatürk University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447
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