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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 = 'BDBM320996'   
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))
BDBM320996
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O6S/c1-2-8-34-15-5-3-4-14(23)13(15)7-6-12-10-29(21-17(12)20(24)26-11-27-21)22-19(31)18(30)16(35-22)9-28-36(25,32)33/h3-5,10-11,16,18-19,22,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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