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PubMed code 30115511

Compile data set for download or QSAR
Found 7 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
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463698
PNG
(CHEMBL4247050)
Show SMILES COc1ccc2n(NC(=O)c3cnc(nc3C)-c3ccccn3)cc(C)c2n1
Show InChI InChI=1S/C20H18N6O2/c1-12-11-26(16-7-8-17(28-3)24-18(12)16)25-20(27)14-10-22-19(23-13(14)2)15-6-4-5-9-21-15/h4-11H,1-3H3,(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463701
PNG
(CHEMBL4241885)
Show SMILES Cc1cn(NC(=O)c2cnc(nc2C)-c2ccccn2)c2ccc(F)nc12
Show InChI InChI=1S/C19H15FN6O/c1-11-10-26(15-6-7-16(20)24-17(11)15)25-19(27)13-9-22-18(23-12(13)2)14-5-3-4-8-21-14/h3-10H,1-2H3,(H,25,27)
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n/an/a 6n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463702
PNG
(CHEMBL3181890)
Show SMILES Cc1cn(NC(=O)c2cnc(nc2C)-c2ccccn2)c2ccc(F)cc12
Show InChI InChI=1S/C20H16FN5O/c1-12-11-26(18-7-6-14(21)9-15(12)18)25-20(27)16-10-23-19(24-13(16)2)17-5-3-4-8-22-17/h3-11H,1-2H3,(H,25,27)
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n/an/a 7n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463704
PNG
(CHEMBL4250602)
Show SMILES Cc1nc(ncc1C(=O)Nn1ccc2c(cccc12)C(F)(F)F)-c1ncccn1
Show InChI InChI=1S/C19H13F3N6O/c1-11-13(10-25-17(26-11)16-23-7-3-8-24-16)18(29)27-28-9-6-12-14(19(20,21)22)4-2-5-15(12)28/h2-10H,1H3,(H,27,29)
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n/an/a 8n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463699
PNG
(CHEMBL4242281)
Show SMILES CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(nc2C)-c2cccc(F)c2)c1
Show InChI InChI=1S/C20H19FN4O3S/c1-13-18(12-23-19(25-13)15-6-4-7-16(21)10-15)20(26)24-11-14-5-3-8-17(9-14)29(27,28)22-2/h3-10,12,22H,11H2,1-2H3,(H,24,26)
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n/an/a 9.5n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463700
PNG
(CHEMBL4239352)
Show SMILES Cc1nc(ncc1C(=O)Nn1ccc2c(cccc12)C(F)(F)F)-c1ccccn1
Show InChI InChI=1S/C20H14F3N5O/c1-12-14(11-25-18(26-12)16-6-2-3-9-24-16)19(29)27-28-10-8-13-15(20(21,22)23)5-4-7-17(13)28/h2-11H,1H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50463703
PNG
(CHEMBL4244590)
Show SMILES CC(C)(CO)NS(=O)(=O)c1cccc(CNC(=O)c2cnc(nc2)-c2cccc(F)c2)c1
Show InChI InChI=1S/C22H23FN4O4S/c1-22(2,14-28)27-32(30,31)19-8-3-5-15(9-19)11-26-21(29)17-12-24-20(25-13-17)16-6-4-7-18(23)10-16/h3-10,12-13,27-28H,11,14H2,1-2H3,(H,26,29)
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n/an/a 23n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of HPGDS (unknown origin)


Bioorg Med Chem Lett 28: 3046-3049 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%