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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM238304'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM238304
PNG
(4-benzoyl-1-(3-(2-(1,3-dioxo-1,3-diphenylpropan-2-...)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-c2ccccc2)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1
Show InChI InChI=1S/C44H32N6O6S/c45-57(55,56)36-26-24-33(25-27-36)46-44(54)38-37(41(51)30-16-7-2-8-17-30)40(29-14-5-1-6-15-29)50(49-38)35-23-13-22-34(28-35)47-48-39(42(52)31-18-9-3-10-19-31)43(53)32-20-11-4-12-21-32/h1-28,47H,(H,46,54)(H2,45,55,56)
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PC cid
PC sid
UniChem
Article
PubMed
 1.95E+3 -32.6n/an/an/an/an/a7.425



Dumlupinar University



Assay Description
CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o...

J Enzyme Inhib Med Chem 28: 328-36 (2013)


Article DOI: 10.3109/14756366.2011.651465
BindingDB Entry DOI: 10.7270/Q2V986ZJ
More data for this
Ligand-Target Pair