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3 similar compounds to monomer 50010609

Compile data set for download or QSAR
Wt: 334.3
BDBM50010602
Wt: 308.3
BDBM50010605
Wt: 337.3
BDBM50228083

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50010602,50010605,50228083   
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))
BDBM50228083
PNG
(CHEMBL238905 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCC(C)CCC(=O)NO
Show InChI InChI=1S/C17H23NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h9,20,22H,4-8H2,1-3H3,(H,18,19)
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Article
PubMed
540n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50228083
PNG
(CHEMBL238905 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCC(C)CCC(=O)NO
Show InChI InChI=1S/C17H23NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h9,20,22H,4-8H2,1-3H3,(H,18,19)
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2.07E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010605
PNG
(6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCC(O)=O
Show InChI InChI=1S/C16H20O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h19H,3-8H2,1-2H3,(H,17,18)
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n/an/a 940n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010602
PNG
(3-[2-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC1CC1(C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-9-12-8-24-17(22)14(12)15(21)11(16(9)23-3)6-10-7-18(10,2)5-4-13(19)20/h10,21H,4-8H2,1-3H3,(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair