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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)' and Monomerid = 50322456   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50322456
PNG
(6-(2-(((1-(50-Deoxy-adenosin-50-yl)-1H-1,2,3-triaz...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNCc1cn(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)nn1
Show InChI InChI=1S/C25H29N9O7/c1-11-14-8-40-25(38)16(14)18(35)13(21(11)39-2)3-4-27-5-12-6-33(32-31-12)7-15-19(36)20(37)24(41-15)34-10-30-17-22(26)28-9-29-23(17)34/h6,9-10,15,19-20,24,27,35-37H,3-5,7-8H2,1-2H3,(H2,26,28,29)/t15-,19-,20-,24-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 53: 4768-78 (2010)


Article DOI: 10.1021/jm100424m
BindingDB Entry DOI: 10.7270/Q2RN382B
More data for this
Ligand-Target Pair