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20 similar compounds to monomer 50445557

Compile data set for download or QSAR
Wt: 334.4
BDBM50445541
Wt: 320.4
BDBM50445542
Wt: 292.3
BDBM50445543
Wt: 278.3
BDBM50445544
Wt: 356.4
BDBM50445545
Wt: 307.3
BDBM50445546
Wt: 307.3
BDBM50445547
Wt: 362.5
BDBM50445550
Wt: 351.4
BDBM50445551
Wt: 336.4
BDBM50445552
Wt: 331.4
BDBM50445553
Wt: 331.4
BDBM50445554
Wt: 320.4
BDBM50445555
Wt: 374.4
BDBM50445556
Wt: 324.3
BDBM50445558
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50445541,50445542,50445543,50445544,50445545,50445546,50445547,50445550,50445551,50445552,50445553,50445554,50445555,50445556,50445558   
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
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445541
PNG
(CHEMBL3103014)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCCCn12
Show InChI InChI=1S/C21H26N4/c1-16-15-19(17(2)25(16)18-11-7-6-8-12-18)21-23-22-20-13-9-4-3-5-10-14-24(20)21/h6-8,11-12,15H,3-5,9-10,13-14H2,1-2H3
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n/an/a 383n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50445555
PNG
(CHEMBL3103000)
Show SMILES Cc1cc(c(C)n1-c1ccc(C)cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H24N4/c1-14-8-10-17(11-9-14)24-15(2)13-18(16(24)3)20-22-21-19-7-5-4-6-12-23(19)20/h8-11,13H,4-7,12H2,1-3H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALDH1A1 (unknown origin) using NAD+/propionaldehyde as substrate after 15 mins by UV-fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445543
PNG
(CHEMBL3103012)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCn12
Show InChI InChI=1S/C18H20N4/c1-13-12-16(14(2)22(13)15-8-4-3-5-9-15)18-20-19-17-10-6-7-11-21(17)18/h3-5,8-9,12H,6-7,10-11H2,1-2H3
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n/an/a 192n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445544
PNG
(CHEMBL3103011)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCn12
Show InChI InChI=1S/C17H18N4/c1-12-11-15(17-19-18-16-9-6-10-20(16)17)13(2)21(12)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3
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n/an/a 3.04E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445545
PNG
(CHEMBL3103010)
Show SMILES Cc1cc(c(C)n1-c1cccc2ccccc12)-c1nnc2CCCCCn12
Show InChI InChI=1S/C23H24N4/c1-16-15-20(23-25-24-22-13-4-3-7-14-26(22)23)17(2)27(16)21-12-8-10-18-9-5-6-11-19(18)21/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3
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n/an/a 108n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445546
PNG
(CHEMBL3103009)
Show SMILES Cc1cc(c(C)n1-c1ccncc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C18H21N5/c1-13-12-16(14(2)23(13)15-7-9-19-10-8-15)18-21-20-17-6-4-3-5-11-22(17)18/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 383n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445547
PNG
(CHEMBL3103008)
Show SMILES Cc1cc(c(C)n1-c1cccnc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C18H21N5/c1-13-11-16(14(2)23(13)15-7-6-9-19-12-15)18-21-20-17-8-4-3-5-10-22(17)18/h6-7,9,11-12H,3-5,8,10H2,1-2H3
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n/an/a 271n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445550
PNG
(CHEMBL3103005)
Show SMILES Cc1cc(c(C)n1-c1ccc(cc1)C(C)(C)C)-c1nnc2CCCCCn12
Show InChI InChI=1S/C23H30N4/c1-16-15-20(22-25-24-21-9-7-6-8-14-26(21)22)17(2)27(16)19-12-10-18(11-13-19)23(3,4)5/h10-13,15H,6-9,14H2,1-5H3
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n/an/a 136n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445551
PNG
(CHEMBL3103004)
Show SMILES Cc1cc(c(C)n1-c1ccc(cc1)[N+]([O-])=O)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21N5O2/c1-13-12-17(19-21-20-18-6-4-3-5-11-22(18)19)14(2)23(13)15-7-9-16(10-8-15)24(25)26/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 108n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445552
PNG
(CHEMBL3103003)
Show SMILES COc1ccc(cc1)-n1c(C)cc(c1C)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H24N4O/c1-14-13-18(20-22-21-19-7-5-4-6-12-23(19)20)15(2)24(14)16-8-10-17(25-3)11-9-16/h8-11,13H,4-7,12H2,1-3H3
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n/an/a 86n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445553
PNG
(CHEMBL3103002)
Show SMILES Cc1cc(c(C)n1-c1ccc(cc1)C#N)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21N5/c1-14-12-18(20-23-22-19-6-4-3-5-11-24(19)20)15(2)25(14)17-9-7-16(13-21)8-10-17/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 96n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445554
PNG
(CHEMBL3103001)
Show SMILES Cc1cc(c(C)n1-c1cccc(c1)C#N)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21N5/c1-14-11-18(20-23-22-19-9-4-3-5-10-24(19)20)15(2)25(14)17-8-6-7-16(12-17)13-21/h6-8,11-12H,3-5,9-10H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445555
PNG
(CHEMBL3103000)
Show SMILES Cc1cc(c(C)n1-c1ccc(C)cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H24N4/c1-14-8-10-17(11-9-14)24-15(2)13-18(16(24)3)20-22-21-19-7-5-4-6-12-23(19)20/h8-11,13H,4-7,12H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445556
PNG
(CHEMBL3102999)
Show SMILES Cc1cc(c(C)n1-c1ccc(cc1)C(F)(F)F)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21F3N4/c1-13-12-17(19-25-24-18-6-4-3-5-11-26(18)19)14(2)27(13)16-9-7-15(8-10-16)20(21,22)23/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445558
PNG
(CHEMBL2132150)
Show SMILES Cc1cc(c(C)n1-c1ccc(F)cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21FN4/c1-13-12-17(14(2)24(13)16-9-7-15(20)8-10-16)19-22-21-18-6-4-3-5-11-23(18)19/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 121n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50445554
PNG
(CHEMBL3103001)
Show SMILES Cc1cc(c(C)n1-c1cccc(c1)C#N)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21N5/c1-14-11-18(20-23-22-19-9-4-3-5-10-24(19)20)15(2)25(14)17-8-6-7-16(12-17)13-21/h6-8,11-12H,3-5,9-10H2,1-2H3
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n/an/a 6.81E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALDH1A1 (unknown origin) using NAD+/propionaldehyde as substrate after 15 mins by UV-fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50445542
PNG
(CHEMBL3103013)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCCn12
Show InChI InChI=1S/C20H24N4/c1-15-14-18(16(2)24(15)17-10-6-5-7-11-17)20-22-21-19-12-8-3-4-9-13-23(19)20/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
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n/an/a 242n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 630-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.081
BindingDB Entry DOI: 10.7270/Q28G8N6H
More data for this
Ligand-Target Pair