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6 similar compounds to monomer 50116137

Compile data set for download or QSAR
Wt: 411.4
BDBM50116128
Wt: 444.4
BDBM50116139
Wt: 458.5
BDBM50116140
Wt: 383.4
BDBM50116141
Wt: 444.4
BDBM50116143
Wt: 397.4
BDBM50116144

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50116128,50116139,50116140,50116141,50116143,50116144   
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))
BDBM50116128
PNG
(6-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-N-(3-metho...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@H]1COC
Show InChI InChI=1S/C20H25N7O3/c1-21-18-24-19(26-20(25-18)27-8-4-5-14(27)11-28-2)23-13-6-7-15(16(9-13)29-3)17-10-22-12-30-17/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H2,21,23,24,25,26)/t14-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116144
PNG
(CHEMBL66176 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-p...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@@H]1CO
Show InChI InChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)/t13-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116140
PNG
(CHEMBL68146 | [4-((S)-2-Methoxymethyl-pyrrolidin-1...)
Show SMILES COC[C@@H]1CCCN1c1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3/c1-32-15-19-9-6-12-31(19)25-29-23(17-7-4-3-5-8-17)28-24(30-25)27-18-10-11-20(21(13-18)33-2)22-14-26-16-34-22/h3-5,7-8,10-11,13-14,16,19H,6,9,12,15H2,1-2H3,(H,27,28,29,30)/t19-/m0/s1
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116143
PNG
(CHEMBL67839 | {(S)-1-[4-(3-Methoxy-4-oxazol-5-yl-p...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCC[C@H]2CO)ccc1-c1cnco1
Show InChI InChI=1S/C24H24N6O3/c1-32-20-12-17(9-10-19(20)21-13-25-15-33-21)26-23-27-22(16-6-3-2-4-7-16)28-24(29-23)30-11-5-8-18(30)14-31/h2-4,6-7,9-10,12-13,15,18,31H,5,8,11,14H2,1H3,(H,26,27,28,29)/t18-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116139
PNG
(CHEMBL303608 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCC[C@@H]2CO)ccc1-c1cnco1
Show InChI InChI=1S/C24H24N6O3/c1-32-20-12-17(9-10-19(20)21-13-25-15-33-21)26-23-27-22(16-6-3-2-4-7-16)28-24(29-23)30-11-5-8-18(30)14-31/h2-4,6-7,9-10,12-13,15,18,31H,5,8,11,14H2,1H3,(H,26,27,28,29)/t18-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116141
PNG
(CHEMBL305214 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O3/c1-19-16-22-17(24-18(23-16)25-5-7-27-8-6-25)21-12-3-4-13(14(9-12)26-2)15-10-20-11-28-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,24)
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair