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5 similar compounds to monomer 50185597

Compile data set for download or QSAR
Wt: 427.3
BDBM50185583
Wt: 399.3
BDBM50185591
Wt: 441.4
BDBM50185593
Wt: 385.3
BDBM50185602
Wt: 397.4
BDBM50185604

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50185583,50185591,50185593,50185602,50185604   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50185583
PNG
((E)-2-(N-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)C(C)=O
Show InChI InChI=1S/C19H26NO8P/c1-11(9-20(13(3)21)7-8-29(24,25)26)5-6-14-17(22)16-15(10-28-19(16)23)12(2)18(14)27-4/h5,22H,6-10H2,1-4H3,(H2,24,25,26)/b11-5+
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n/an/a 785n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185591
PNG
((E)-2-((4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(C)CCP(O)(O)=O
Show InChI InChI=1S/C18H26NO7P/c1-11(9-19(3)7-8-27(22,23)24)5-6-13-16(20)15-14(10-26-18(15)21)12(2)17(13)25-4/h5,20H,6-10H2,1-4H3,(H2,22,23,24)/b11-5+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185604
PNG
((E)-2-((4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-di...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(C)CCP(O)(O)=O
Show InChI InChI=1S/C19H28NO6P/c1-5-14-13(3)16-11-26-19(22)17(16)18(21)15(14)7-6-12(2)10-20(4)8-9-27(23,24)25/h6,21H,5,7-11H2,1-4H3,(H2,23,24,25)/b12-6+
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PubMed
n/an/a 132n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185602
PNG
((E)-2-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-d...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O
Show InChI InChI=1S/C17H24NO7P/c1-10(8-18-6-7-26(21,22)23)4-5-12-15(19)14-13(9-25-17(14)20)11(2)16(12)24-3/h4,18-19H,5-9H2,1-3H3,(H2,21,22,23)
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PubMed
n/an/a 499n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185593
PNG
((E)-diethyl 2-(4-(4-hydroxy-6-methoxy-7-methyl-3-o...)
Show SMILES CCOP(=O)(CCNCC(C)=CCc1c(O)c2C(=O)OCc2c(C)c1OC)OCC
Show InChI InChI=1S/C21H32NO7P/c1-6-28-30(25,29-7-2)11-10-22-12-14(3)8-9-16-19(23)18-17(13-27-21(18)24)15(4)20(16)26-5/h8,22-23H,6-7,9-13H2,1-5H3
PDB
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair