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Found 14 hits Enz. Inhib. hit(s) with Target = 'Phosphoglycerate dehydrogenase (PHGDH)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209924
PNG
(PKUMDL-WQ-2101)
Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 560n/an/an/an/an/an/a



Peking University



Assay Description
The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on ...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM195606
PNG
(NCT-503)
Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C20H23F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Whitehead Institute for Biomedical Research



Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM195605
PNG
(NCT-502)
Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C18H20F3N5S/c1-12-9-13(2)23-15(10-12)24-17(27)26-7-5-25(6-8-26)16-4-3-14(11-22-16)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,27)
PDB

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UniChem
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Whitehead Institute for Biomedical Research



Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM58473
PNG
(MLS001172437 | N-(4-methyl-2-pyridinyl)-4-[3-(trif...)
Show SMILES Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H19F3N4S/c1-13-5-6-22-16(11-13)23-17(26)25-9-7-24(8-10-25)15-4-2-3-14(12-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,22,23,26)
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Similars

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Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Whitehead Institute for Biomedical Research



Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209927
PNG
(PKUMDL-WQ-2203)
Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)C(SCC(O)=O)=C(SCC(O)=O)C1=O
Show InChI InChI=1S/C14H12O10S4/c15-5(16)1-25-11-9(23)13(27-3-7(19)20)14(28-4-8(21)22)10(24)12(11)26-2-6(17)18/h1-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/a 2.81E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209924
PNG
(PKUMDL-WQ-2101)
Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/a 3.48E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209925
PNG
(PKUMDL-WQ-2201)
Show SMILES CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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PubMed
n/an/a 3.57E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209926
PNG
(PKUMDL-WQ-2202)
Show SMILES Cc1c(\N=N\c2cccc(c2)C(O)=O)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C14H10N4O4/c1-7-10(6-15)12(19)16-13(20)11(7)18-17-9-4-2-3-8(5-9)14(21)22/h2-5H,1H3,(H,21,22)(H2,16,19,20)/b18-17+
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209924
PNG
(PKUMDL-WQ-2101)
Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/a 4.49E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209928
PNG
(PKUMDL-WQ-2101-Biotin)
Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(cc(COC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2O)[N+]([O-])=O)c(O)c1
Show InChI InChI=1/C25H27N5O9S/c31-16-5-6-17(19(32)9-16)24(35)29-26-10-13-7-15(30(37)38)8-14(23(13)34)11-39-21(33)4-2-1-3-20-22-18(12-40-20)27-25(36)28-22/h5-10,18,20,22,31-32,34H,1-4,11-12H2,(H,29,35)(H2,27,28,36)/b26-10+/t18-,20-,22-/s2
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 4.95E+4n/an/an/an/an/an/a



Peking University



Assay Description
To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM195607
PNG
(PHGDH-inactive)
Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23)
PDB

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UniChem
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Article
PubMed
n/an/a>5.70E+4n/an/an/an/an/an/a



Whitehead Institute for Biomedical Research



Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...


Citation and Details
More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209927
PNG
(PKUMDL-WQ-2203)
Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)C(SCC(O)=O)=C(SCC(O)=O)C1=O
Show InChI InChI=1S/C14H12O10S4/c15-5(16)1-25-11-9(23)13(27-3-7(19)20)14(28-4-8(21)22)10(24)12(11)26-2-6(17)18/h1-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/an/a 7.22E+3n/an/an/an/an/a



Peking University



Assay Description
The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on ...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209926
PNG
(PKUMDL-WQ-2202)
Show SMILES Cc1c(\N=N\c2cccc(c2)C(O)=O)c(O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C14H10N4O4/c1-7-10(6-15)12(19)16-13(20)11(7)18-17-9-4-2-3-8(5-9)14(21)22/h2-5H,1H3,(H,21,22)(H2,16,19,20)/b18-17+
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/an/a 2.90E+4n/an/an/an/an/a



Peking University



Assay Description
The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on ...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH)


(Homo sapiens (Human))
BDBM209925
PNG
(PKUMDL-WQ-2201)
Show SMILES CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8-
PDB

UniProtKB/SwissProt

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UniChem
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PubMed
n/an/an/a 6.69E+4n/an/an/an/an/a



Peking University



Assay Description
The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on ...


Cell Chem Biol 24: 55-65 (2017)

More data for this
Ligand-Target Pair