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21 similar compounds to monomer 50445534

Compile data set for download or QSAR
Wt: 319.4
BDBM30884
Purchase
Wt: 387.3
BDBM50445533
Wt: 361.4
BDBM50445535
Wt: 347.4
BDBM50445536
Wt: 333.4
BDBM50445537
Wt: 361.4
BDBM50445512
Wt: 373.3
BDBM50445513
Wt: 339.8
BDBM50445515
Wt: 319.4
BDBM50445516
Wt: 361.4
BDBM50445517
Wt: 347.4
BDBM50445518
Wt: 373.3
BDBM50445519
Wt: 339.8
BDBM50445521
Wt: 305.3
BDBM50445523
Wt: 307.3
BDBM50445526
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 30884,50445533,50445535,50445536,50445537,50445512,50445513,50445515,50445516,50445517,50445518,50445519,50445521,50445523,50445526   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM30884
PNG
(1-(3-methylphenyl)-5-(piperidin-1-ylcarbonyl)-1H-b...)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
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n/an/an/an/a 5.81E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50445521
PNG
(CHEMBL3103033)
Show SMILES Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H18ClN3O/c20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
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n/an/a 1.92E+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))
BDBM50445513
PNG
(CHEMBL3103041)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)15-5-7-16(8-6-15)26-13-24-17-12-14(4-9-18(17)26)19(27)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2
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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))
BDBM50445515
PNG
(CHEMBL3103039)
Show SMILES Clc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H18ClN3O/c20-15-5-7-16(8-6-15)23-13-21-17-12-14(4-9-18(17)23)19(24)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2
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n/an/a 22n/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))
BDBM50445516
PNG
(CHEMBL3103038)
Show SMILES Cc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O/c1-15-5-8-17(9-6-15)23-14-21-18-13-16(7-10-19(18)23)20(24)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3
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n/an/a 19n/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))
BDBM50445517
PNG
(CHEMBL3103037)
Show SMILES CC(C)(C)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25/h7-11,14-16H,4-6,12-13H2,1-3H3
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n/an/a 171n/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))
BDBM50445518
PNG
(CHEMBL3103036)
Show SMILES CC(C)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H25N3O/c1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-16H,3-5,11-12H2,1-2H3
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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))
BDBM50445519
PNG
(CHEMBL3103035)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)15-5-4-6-16(12-15)26-13-24-17-11-14(7-8-18(17)26)19(27)25-9-2-1-3-10-25/h4-8,11-13H,1-3,9-10H2
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n/an/a 48n/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))
BDBM50445521
PNG
(CHEMBL3103033)
Show SMILES Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H18ClN3O/c20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2
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n/an/a 12n/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))
BDBM50445523
PNG
(CHEMBL3103032)
Show SMILES O=C(N1CCCCC1)c1ccc2n(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O/c23-19(21-11-5-2-6-12-21)15-9-10-18-17(13-15)20-14-22(18)16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12H2
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n/an/a 22n/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))
BDBM50445526
PNG
(CHEMBL3103029)
Show SMILES CCCCNC(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C19H21N3O/c1-3-4-10-20-19(23)15-8-9-18-17(12-15)21-13-22(18)16-7-5-6-14(2)11-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,23)
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n/an/a 1.36E+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))
BDBM50445533
PNG
(CHEMBL3103022)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C1)C(F)(F)F
Show InChI InChI=1/C21H20F3N3O/c1-14-4-2-6-17(10-14)27-13-25-18-11-15(7-8-19(18)27)20(28)26-9-3-5-16(12-26)21(22,23)24/h2,4,6-8,10-11,13,16H,3,5,9,12H2,1H3
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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))
BDBM50445535
PNG
(CHEMBL3103020)
Show SMILES CC(C)C1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1/C23H27N3O/c1-16(2)19-7-5-11-25(14-19)23(27)18-9-10-22-21(13-18)24-15-26(22)20-8-4-6-17(3)12-20/h4,6,8-10,12-13,15-16,19H,5,7,11,14H2,1-3H3
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n/an/a 48n/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))
BDBM50445536
PNG
(CHEMBL3103019)
Show SMILES CC1CC(C)CN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1/C22H25N3O/c1-15-5-4-6-19(10-15)25-14-23-20-11-18(7-8-21(20)25)22(26)24-12-16(2)9-17(3)13-24/h4-8,10-11,14,16-17H,9,12-13H2,1-3H3
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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))
BDBM50445537
PNG
(CHEMBL3103018)
Show SMILES CC1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1/C21H23N3O/c1-15-5-3-7-18(11-15)24-14-22-19-12-17(8-9-20(19)24)21(25)23-10-4-6-16(2)13-23/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3
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n/an/a 22n/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))
BDBM30884
PNG
(1-(3-methylphenyl)-5-(piperidin-1-ylcarbonyl)-1H-b...)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
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n/an/a 19n/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))
BDBM50445519
PNG
(CHEMBL3103035)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)15-5-4-6-16(12-15)26-13-24-17-11-14(7-8-18(17)26)19(27)25-9-2-1-3-10-25/h4-8,11-13H,1-3,9-10H2
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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))
BDBM50445512
PNG
(CHEMBL3103042)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-23(2,3)18-8-10-19(11-9-18)26-16-24-20-15-17(7-12-21(20)26)22(27)25-13-5-4-6-14-25/h7-12,15-16H,4-6,13-14H2,1-3H3
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n/an/a 54n/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