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PubMed code 24360556

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445521
PNG
(CHEMBL3103033 | US11345702, Table 1.21 | US2023039...)
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))
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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445520
PNG
(CHEMBL3103034)
Show SMILES COc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-7-5-6-16(13-17)23-14-21-18-12-15(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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445514
PNG
(CHEMBL3103040 | US11345702, Table 1.33 | US2023039...)
Show SMILES COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(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))
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))
BDBM50445537
PNG
(CHEMBL3103018)
Show SMILES CC1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1S/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))
BDBM50445562
PNG
(CHEMBL3102994)
Show SMILES Cc1cc(c(C)n1-c1ccc(Cl)c(Cl)c1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H20Cl2N4/c1-12-10-15(19-23-22-18-6-4-3-5-9-24(18)19)13(2)25(12)14-7-8-16(20)17(21)11-14/h7-8,10-11H,3-6,9H2,1-2H3
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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))
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))
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))
BDBM50445522
PNG
(CHEMBL3102860)
Show SMILES COc1ccccc1-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O2/c1-25-19-8-4-3-7-18(19)23-14-21-16-13-15(9-10-17(16)23)20(24)22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
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n/an/a 27n/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))
BDBM50445561
PNG
(CHEMBL3102995)
Show SMILES Cc1cc(c(C)n1-c1cccc(Cl)c1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21ClN4/c1-13-11-17(14(2)24(13)16-8-6-7-15(20)12-16)19-22-21-18-9-4-3-5-10-23(18)19/h6-8,11-12H,3-5,9-10H2,1-2H3
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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))
BDBM50445511
PNG
(CHEMBL3103043)
Show SMILES CC(C)(C)n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H23N3O/c1-17(2,3)20-12-18-14-11-13(7-8-15(14)20)16(21)19-9-5-4-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3
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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))
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))
BDBM50445560
PNG
(CHEMBL3102996)
Show SMILES Cc1cc(c(C)n1-c1ccc(Cl)cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21ClN4/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 38n/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))
BDBM50445549
PNG
(CHEMBL3103006)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c(C)cc(c1C)-c1nnc2CCCCCn12
Show InChI InChI=1S/C22H26N4O2/c1-4-28-22(27)17-9-11-18(12-10-17)26-15(2)14-19(16(26)3)21-24-23-20-8-6-5-7-13-25(20)21/h9-12,14H,4-8,13H2,1-3H3
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n/an/a 38n/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))
BDBM50445559
PNG
(CHEMBL3102997)
Show SMILES Cc1cc(c(C)n1-c1ccc(Br)cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21BrN4/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 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))
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))
BDBM50445535
PNG
(CHEMBL3103020)
Show SMILES CC(C)C1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1S/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))
BDBM50445557
PNG
(CHEMBL3102998)
Show SMILES Cc1cc(c(C)n1-c1cccc(c1)C(F)(F)F)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21F3N4/c1-13-11-17(19-25-24-18-9-4-3-5-10-26(18)19)14(2)27(13)16-8-6-7-15(12-16)20(21,22)23/h6-8,11-12H,3-5,9-10H2,1-2H3
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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))
BDBM50347949
PNG
(CHEMBL599406 | US8637558, 46)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C18H21NO3S/c20-17-16(23-18(21)19-17)12-14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,19,20,21)
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n/an/a 51n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of PGDH (unknown origin)


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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445563
PNG
(CHEMBL1408258)
Show SMILES Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H22N4/c1-14-13-17(15(2)23(14)16-9-5-3-6-10-16)19-21-20-18-11-7-4-8-12-22(18)19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
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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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445510
PNG
(CHEMBL3103044)
Show SMILES CCCCn1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H23N3O/c1-2-3-9-20-13-18-15-12-14(7-8-16(15)20)17(21)19-10-5-4-6-11-19/h7-8,12-13H,2-6,9-11H2,1H3
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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))
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))
BDBM50445533
PNG
(CHEMBL3103022)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C1)C(F)(F)F
Show InChI InChI=1S/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))
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))
BDBM50445534
PNG
(CHEMBL3103021)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C22H25N3O/c1-16-6-4-7-18(12-16)25-15-23-19-13-17(8-9-20(19)25)21(26)24-11-5-10-22(2,3)14-24/h4,6-9,12-13,15H,5,10-11,14H2,1-3H3
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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))
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))
BDBM50445532
PNG
(CHEMBL3103023)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC(Br)CC1
Show InChI InChI=1S/C20H20BrN3O/c1-14-3-2-4-17(11-14)24-13-22-18-12-15(5-6-19(18)24)20(25)23-9-7-16(21)8-10-23/h2-6,11-13,16H,7-10H2,1H3
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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))
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))
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))
BDBM50445545
PNG
(CHEMBL3103010)
Show SMILES Cc1cc(c(C)n1-c1cccc2ccccc12)-c1nnc2CCCCCn12 |(30.03,-40.3,;31.5,-39.83,;32.74,-40.74,;33.99,-39.84,;33.52,-38.37,;34.43,-37.13,;31.98,-38.36,;31.24,-37.01,;29.71,-36.99,;28.96,-35.65,;29.76,-34.32,;31.3,-34.35,;32.09,-33.05,;33.62,-33.07,;34.36,-34.42,;33.57,-35.73,;32.04,-35.7,;35.45,-40.32,;35.92,-41.78,;37.46,-41.78,;37.95,-40.31,;39.45,-39.89,;40.05,-38.45,;39.3,-37.09,;37.77,-36.82,;36.61,-37.85,;36.69,-39.41,)|
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))
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))
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
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))
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))
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))
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
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=1S/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))
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))
BDBM50445529
PNG
(CHEMBL3103026)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C19H19N3O/c1-14-5-4-6-16(11-14)22-13-20-17-12-15(7-8-18(17)22)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3
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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))
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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50445530
PNG
(CHEMBL3103025)
Show SMILES CCN(CC)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C19H21N3O/c1-4-21(5-2)19(23)15-9-10-18-17(12-15)20-13-22(18)16-8-6-7-14(3)11-16/h6-13H,4-5H2,1-3H3
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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))
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))
BDBM50445528
PNG
(CHEMBL3103027)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C26H25N3O/c1-19-7-5-11-23(15-19)29-18-27-24-16-21(12-13-25(24)29)26(30)28-14-6-10-22(17-28)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,18,22H,6,10,14,17H2,1H3
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n/an/a 429n/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))
BDBM50445540
PNG
(CHEMBL3103015)
Show SMILES C1CCc2nnc(-c3ccn(c3)-c3ccccc3)n2CC1
Show InChI InChI=1S/C17H18N4/c1-3-7-15(8-4-1)20-12-10-14(13-20)17-19-18-16-9-5-2-6-11-21(16)17/h1,3-4,7-8,10,12-13H,2,5-6,9,11H2
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n/an/a 607n/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


(Homo sapiens (Human))
BDBM50445562
PNG
(CHEMBL3102994)
Show SMILES Cc1cc(c(C)n1-c1ccc(Cl)c(Cl)c1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H20Cl2N4/c1-12-10-15(19-23-22-18-6-4-3-5-9-24(18)19)13(2)25(12)14-7-8-16(20)17(21)11-14/h7-8,10-11H,3-6,9H2,1-2H3
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n/an/a 607n/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))
BDBM50445538
PNG
(CHEMBL3103017)
Show SMILES C1CCc2nnc(-c3cn(-c4ccccc4)c4ccccc34)n2CC1
Show InChI InChI=1S/C21H20N4/c1-3-9-16(10-4-1)25-15-18(17-11-6-7-12-19(17)25)21-23-22-20-13-5-2-8-14-24(20)21/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2
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n/an/a 681n/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))
BDBM50445527
PNG
(CHEMBL3103028)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H21N3O/c1-14-5-4-8-17(11-14)23-13-21-18-12-15(9-10-19(18)23)20(24)22-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,24)
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n/an/a 961n/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))
BDBM50445548
PNG
(CHEMBL3103007)
Show SMILES Cc1cc(c(C)n1-c1ccccn1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C18H21N5/c1-13-12-15(14(2)23(13)16-8-5-6-10-19-16)18-21-20-17-9-4-3-7-11-22(17)18/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
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n/an/a 1.08E+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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50445514
PNG
(CHEMBL3103040 | US11345702, Table 1.33 | US2023039...)
Show SMILES COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(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 1.36E+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))
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))
BDBM50445531
PNG
(CHEMBL3103024)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O/c1-14-3-2-4-17(11-14)27-13-25-18-12-15(5-6-19(18)27)20(28)26-9-7-16(8-10-26)21(22,23)24/h2-6,11-13,16H,7-10H2,1H3
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n/an/a 1.52E+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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50445557
PNG
(CHEMBL3102998)
Show SMILES Cc1cc(c(C)n1-c1cccc(c1)C(F)(F)F)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H21F3N4/c1-13-11-17(19-25-24-18-9-4-3-5-10-26(18)19)14(2)27(13)16-8-6-7-15(12-16)20(21,22)23/h6-8,11-12H,3-5,9-10H2,1-2H3
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n/an/a 1.52E+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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50445534
PNG
(CHEMBL3103021)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C22H25N3O/c1-16-6-4-7-18(12-16)25-15-23-19-13-17(8-9-20(19)25)21(26)24-11-5-10-22(2,3)14-24/h4,6-9,12-13,15H,5,10-11,14H2,1-3H3
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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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50445521
PNG
(CHEMBL3103033 | US11345702, Table 1.21 | US2023039...)
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
Aldehyde dehydrogenase 1A1


(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
Aldehyde dehydrogenase 1A1


(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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PubMed
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))
BDBM50049243
PNG
(5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...)
Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of PGDH (unknown origin)


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))
BDBM50445525
PNG
(CHEMBL3103030)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C20H22N4O/c1-15-4-3-5-17(12-15)24-14-21-18-13-16(6-7-19(18)24)20(25)23-10-8-22(2)9-11-23/h3-7,12-14H,8-11H2,1-2H3
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n/an/a 2.71E+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))
BDBM50445524
PNG
(CHEMBL3103031)
Show SMILES Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O2/c1-14-3-2-4-16(11-14)22-13-20-17-12-15(5-6-18(17)22)19(23)21-7-9-24-10-8-21/h2-6,11-13H,7-10H2,1H3
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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))
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))
BDBM50445539
PNG
(CHEMBL3103016)
Show SMILES C1CCc2nnc(-c3ccn(n3)-c3ccccc3)n2CC1
Show InChI InChI=1S/C16H17N5/c1-3-7-13(8-4-1)21-12-10-14(19-21)16-18-17-15-9-5-2-6-11-20(15)16/h1,3-4,7-8,10,12H,2,5-6,9,11H2
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n/an/a 3.83E+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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50445561
PNG
(CHEMBL3102995)
Show SMILES Cc1cc(c(C)n1-c1cccc(Cl)c1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C19H21ClN4/c1-13-11-17(14(2)24(13)16-8-6-7-15(20)12-16)19-22-21-18-9-4-3-5-10-23(18)19/h6-8,11-12H,3-5,9-10H2,1-2H3
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n/an/a 4.82E+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
Aldehyde dehydrogenase 1A1


(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
* indicates data uncertainty>20%