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PubMed code 28085281

Compile data set for download or QSAR
Found 64 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
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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 2.70E+4n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction i...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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 4.00E+4n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction i...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(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)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PHGDH (unknown origin) assessed as reduction in NADH formation using 3-phosphoglycerate as substrate after 20 mins in p...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230356
PNG
((3,4-DICHLOROPHENYL)(MORPHOLINO)METHANETHIONE)
Show SMILES Clc1ccc(cc1Cl)C(=S)N1CCOCC1
Show InChI InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230354
PNG
(CHEMBL4084694)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230347
PNG
(CHEMBL4096521)
Show SMILES Clc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230356
PNG
((3,4-DICHLOROPHENYL)(MORPHOLINO)METHANETHIONE)
Show SMILES Clc1ccc(cc1Cl)C(=S)N1CCOCC1
Show InChI InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230353
PNG
(CHEMBL4075188)
Show SMILES Ic1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230354
PNG
(CHEMBL4084694)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230350
PNG
(CHEMBL4087895)
Show SMILES Brc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230347
PNG
(CHEMBL4096521)
Show SMILES Clc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230353
PNG
(CHEMBL4075188)
Show SMILES Ic1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230347
PNG
(CHEMBL4096521)
Show SMILES Clc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.55E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230356
PNG
((3,4-DICHLOROPHENYL)(MORPHOLINO)METHANETHIONE)
Show SMILES Clc1ccc(cc1Cl)C(=S)N1CCOCC1
Show InChI InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230350
PNG
(CHEMBL4087895)
Show SMILES Brc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.69E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230354
PNG
(CHEMBL4084694)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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n/an/a 1.76E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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n/an/a 1.83E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230356
PNG
((3,4-DICHLOROPHENYL)(MORPHOLINO)METHANETHIONE)
Show SMILES Clc1ccc(cc1Cl)C(=S)N1CCOCC1
Show InChI InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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n/an/a 1.91E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230353
PNG
(CHEMBL4075188)
Show SMILES Ic1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.96E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230350
PNG
(CHEMBL4087895)
Show SMILES Brc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 2.04E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230347
PNG
(CHEMBL4096521)
Show SMILES Clc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230354
PNG
(CHEMBL4084694)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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n/an/a 2.28E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230356
PNG
((3,4-DICHLOROPHENYL)(MORPHOLINO)METHANETHIONE)
Show SMILES Clc1ccc(cc1Cl)C(=S)N1CCOCC1
Show InChI InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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n/an/a 2.43E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230353
PNG
(CHEMBL4075188)
Show SMILES Ic1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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n/an/a 3.09E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230362
PNG
(CHEMBL4070806)
Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)c(SC#N)c1C
Show InChI InChI=1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Non-competitive inhibition of His6-tagged full length PHGDH (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in NADH f...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230354
PNG
(CHEMBL4084694)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2
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n/an/a 3.51E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230350
PNG
(CHEMBL4087895)
Show SMILES Brc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 3.72E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230344
PNG
(CHEMBL4060605)
Show SMILES Fc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 4.33E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230347
PNG
(CHEMBL4096521)
Show SMILES Clc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 5.05E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230351
PNG
(CHEMBL4061896)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN2O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
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n/an/a 5.75E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230344
PNG
(CHEMBL4060605)
Show SMILES Fc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 6.44E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230344
PNG
(CHEMBL4060605)
Show SMILES Fc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 6.89E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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n/an/a 7.17E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230351
PNG
(CHEMBL4061896)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN2O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
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n/an/a 7.52E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230351
PNG
(CHEMBL4061896)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN2O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230361
PNG
(CHEMBL4094885)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-4-6-18-7-5-13)9-2-1-3-10(8-9)14(16)17/h1-3,8H,4-7H2
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n/an/a 8.81E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230344
PNG
(CHEMBL4060605)
Show SMILES Fc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230345
PNG
(CHEMBL4088826)
Show SMILES Clc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230346
PNG
(CHEMBL4069286)
Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230346
PNG
(CHEMBL4069286)
Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230351
PNG
(CHEMBL4061896)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN2O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230345
PNG
(CHEMBL4088826)
Show SMILES Clc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230346
PNG
(CHEMBL4069286)
Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230352
PNG
(CHEMBL4086943)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230351
PNG
(CHEMBL4061896)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN2O3/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230346
PNG
(CHEMBL4069286)
Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230345
PNG
(CHEMBL4088826)
Show SMILES Clc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230345
PNG
(CHEMBL4088826)
Show SMILES Clc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230344
PNG
(CHEMBL4060605)
Show SMILES Fc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230350
PNG
(CHEMBL4087895)
Show SMILES Brc1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.31E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230348
PNG
(CHEMBL4080013)
Show SMILES Brc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.61E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230353
PNG
(CHEMBL4075188)
Show SMILES Ic1ccc(cc1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a 1.78E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230343
PNG
(CHEMBL4094815)
Show SMILES Fc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230349
PNG
(CHEMBL4104245)
Show SMILES Brc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12BrNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230357
PNG
(CHEMBL4095597)
Show SMILES Ic1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230360
PNG
(CHEMBL4066572)
Show SMILES Ic1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12INO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230345
PNG
(CHEMBL4088826)
Show SMILES Clc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230342
PNG
(CHEMBL4074316)
Show SMILES Fc1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12FNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230358
PNG
(CHEMBL4074399)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11(12(19)13-5-7-18-8-6-13)9-3-1-2-4-10(9)14(16)17/h1-4H,5-8H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230346
PNG
(CHEMBL4069286)
Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230359
PNG
(CHEMBL4102631)
Show SMILES O=C(C(=S)N1CCOCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50230355
PNG
(CHEMBL4061884)
Show SMILES OCCNC(=O)COc1cc2[nH]c(cc2cc1Cl)C(=O)N[C@H](CO)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O7/c23-15-7-14-8-17(25-16(14)9-19(15)33-11-20(29)24-5-6-27)21(30)26-18(10-28)12-1-3-13(4-2-12)22(31)32/h1-4,7-9,18,25,27-28H,5-6,10-11H2,(H,24,29)(H,26,30)(H,31,32)/t18-/m1/s1
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n/an/an/a 180n/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to PHGDH (unknown origin) by SPR assay

J Med Chem 60: 1591-1597 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01166
BindingDB Entry DOI: 10.7270/Q21N83CP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%