BDBM19267 CHEMBL392204::Mycophenolic Adenine Dinucleotide (MAD) Analogue, 38::[({[(2R,3S,4R,5R)-5-(6-amino-2-ethyl-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl][2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphinic acid

SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=JGKVLOVOUVLRSP-DFOYNDKMSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 19267   

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  16nM ΔG°:  -10.6kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  16nMAssay Description:Inhibition of IMPDH1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  20nMAssay Description:Inhibition of human IMP dehydrogenase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  38nM ΔG°:  -10.1kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  38nMAssay Description:Inhibition of IMPDH2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
University Of Minnesota At Twin Citiies

LigandPNGBDBM19267(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Affinity DataKi:  40nMAssay Description:Inhibition of human IMP dehydrogenase 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed