Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3' and Ligand = 'BDBM239158'   

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 3 (Bos taurus (Cattle))	BDBM239158 (α-CA inhibitor, 6) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O |r| Show InChI InChI=1S/C25H24O9/c1-31-21-6-13(2-4-16(21)28)25-23(11-26)32-19-5-3-12(7-22(19)34-25)24-18(30)10-15-17(29)8-14(27)9-20(15)33-24/h2-9,18,23-30H,10-11H2,1H3/t18-,23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ege University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2
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