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PubMed code 17395461

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50209233
PNG
(2-{(2S,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-amino-pu...)
Show SMILES NC(=O)c1csc(C[C@@H]2O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4ncnc(N)c34)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C21H29N9O11S3/c22-18-13-20(25-5-24-18)26-6-30(13)21-17(34)16(33)11(41-21)3-28-44(38,39)7-43(36,37)27-2-10-15(32)14(31)9(40-10)1-12-29-8(4-42-12)19(23)35/h4-6,9-11,14-17,21,27-28,31-34H,1-3,7H2,(H2,23,35)(H2,22,24,25)/t9-,10+,11+,14-,15+,16+,17+,21+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.88E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP-dehydrogenase type 2


Bioorg Med Chem Lett 17: 3152-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.035
BindingDB Entry DOI: 10.7270/Q22Z1561
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50209233
PNG
(2-{(2S,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-amino-pu...)
Show SMILES NC(=O)c1csc(C[C@@H]2O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4ncnc(N)c34)[C@@H](O)[C@H]2O)n1
Show InChI InChI=1S/C21H29N9O11S3/c22-18-13-20(25-5-24-18)26-6-30(13)21-17(34)16(33)11(41-21)3-28-44(38,39)7-43(36,37)27-2-10-15(32)14(31)9(40-10)1-12-29-8(4-42-12)19(23)35/h4-6,9-11,14-17,21,27-28,31-34H,1-3,7H2,(H2,23,35)(H2,22,24,25)/t9-,10+,11+,14-,15+,16+,17+,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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 type 1


Bioorg Med Chem Lett 17: 3152-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.035
BindingDB Entry DOI: 10.7270/Q22Z1561
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%