Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM235707'   

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))	BDBM235707 ((1R,2R)-cyclohexane-1,2-diol (5)) Show SMILES O[C@@H]1CC=CC[C@H]1O |r,c:3| Show InChI InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar 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 27: 148-54 (2012) Article DOI: 10.3109/14756366.2011.629198 BindingDB Entry DOI: 10.7270/Q2M907JC
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