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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)' and Ligand = 'BDBM50263242'   
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 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50263242
PNG
(2-{(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-Amino-pu...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N9O11S3/c21-16-10-18(24-4-23-16)29(5-25-10)20-14(33)12(31)9(40-20)2-27-43(37,38)6-42(35,36)26-1-8-11(30)13(32)15(39-8)19-28-7(3-41-19)17(22)34/h3-5,8-9,11-15,20,26-27,30-33H,1-2,6H2,(H2,22,34)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
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Similars

Article
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP dehydrogenase 1


Bioorg Med Chem 16: 7462-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.003
BindingDB Entry DOI: 10.7270/Q25D8RPD
More data for this
Ligand-Target Pair