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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 = 'BDBM321044'   
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))
BDBM321044
PNG
(4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-2-32-16-5-3-4-14(22)13(16)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)17(33-18)9-27-34(24,30)31/h3-5,10-11,15,17-18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,30,31)/t15-,17+,18+/m0/s1
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MMDB

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PC cid
PC sid
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US Patent
n/an/a 340n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair