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BDBM50338551 CHEMBL1683753::Mycophenolic ethylenephosphonate-8-thioadenosine

SMILES: COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCSc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

InChI Key: InChIKey=GLOKAJGIGNBHII-GJDLODDASA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338551
PNG
(CHEMBL1683753 | Mycophenolic ethylenephosphonate-8...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCSc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C24H30N5O11PS/c1-10-12-8-38-23(34)14(12)16(31)11(19(10)37-2)3-4-39-41(35,36)5-6-42-24-28-15-20(25)26-9-27-21(15)29(24)22-18(33)17(32)13(7-30)40-22/h9,13,17-18,22,30-33H,3-8H2,1-2H3,(H,35,36)(H2,25,26,27)/t13-,17-,18-,22-/m0/s1
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 by Spectrophotometer


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338551
PNG
(CHEMBL1683753 | Mycophenolic ethylenephosphonate-8...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCSc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C24H30N5O11PS/c1-10-12-8-38-23(34)14(12)16(31)11(19(10)37-2)3-4-39-41(35,36)5-6-42-24-28-15-20(25)26-9-27-21(15)29(24)22-18(33)17(32)13(7-30)40-22/h9,13,17-18,22,30-33H,3-8H2,1-2H3,(H,35,36)(H2,25,26,27)/t13-,17-,18-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1 by Spectrophotometry


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair