Compile Data Set for Download or QSAR

Found 909 hits Enz. Inhib. hit(s) with Target = 'Phosphoglycerate dehydrogenase (PHGDH)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230355 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to PHGDH (unknown origin)				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230355 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230355 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to PHGDH (unknown origin) by surface plasma resonance method				Bioorg Med Chem 26: 1727-1739 (2018) Article DOI: 10.1016/j.bmc.2018.02.016 BindingDB Entry DOI: 10.7270/Q2542R3R
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230355 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to PHGDH (unknown origin) by surface plasma resonance method				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209927 (PKUMDL-WQ-2203) Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)C(SCC(O)=O)=C(SCC(O)=O)C1=O |c:5,t:19| 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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.22E+3	n/a	n/a	n/a	7.4	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607970 (CHEMBL5270272) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209926 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	7.4	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209925 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.69E+4	n/a	n/a	n/a	7.4	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519097 (CHEMBL4574949) Show SMILES Cn1nc(cc1C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human PHGDH (4 to 315 residues)by SPR assay				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519142 (CHEMBL4548832) Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C17H14N2O3/c1-19-14-8-3-2-5-11(14)10-15(19)16(20)18-13-7-4-6-12(9-13)17(21)22/h2-10H,1H3,(H,18,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human PHGDH (4 to 315 residues)by SPR assay				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607972 (Benzo[B]Thiophene-2-Carboxamide | CHEMBL538197) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	4.70E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232876 (CHEMBL4094048) Show SMILES COc1ccc(NC(C)=O)cc1Cl Show InChI InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232879 (CHEMBL326430) Show SMILES Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232874 (CHEMBL4074617) Show SMILES NC(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human PHGDH ( 1 to 533 residues) expressed in Escherichia coli Rosetta (DE3) by Sypro-orange dye based differential scanning fluo...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232879 (CHEMBL326430) Show SMILES Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232874 (CHEMBL4074617) Show SMILES NC(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232874 (CHEMBL4074617) Show SMILES NC(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232876 (CHEMBL4094048) Show SMILES COc1ccc(NC(C)=O)cc1Cl Show InChI InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.80E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232873 (CHEMBL4084029) Show SMILES Cn1nc(cc1N)-c1ccccc1 Show InChI InChI=1S/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	5.80E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232873 (CHEMBL4084029) Show SMILES Cn1nc(cc1N)-c1ccccc1 Show InChI InChI=1S/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.80E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232875 (CHEMBL1901807) Show SMILES Oc1ccc2C(=O)COc2c1 Show InChI InChI=1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232875 (CHEMBL1901807) Show SMILES Oc1ccc2C(=O)COc2c1 Show InChI InChI=1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232880 (Benzo[D]Isoxazol-3-Ol | CHEMBL444173) Show SMILES Oc1noc2ccccc12 Show InChI InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.50E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50232880 (Benzo[D]Isoxazol-3-Ol | CHEMBL444173) Show SMILES Oc1noc2ccccc12 Show InChI InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	6.50E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50011537 (CHEMBL3262562) Show SMILES Nc1cccc(c1)-c1cnco1 Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.30E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay				J Med Chem 60: 1227-1237 (2017) Article DOI: 10.1021/acs.jmedchem.6b01167 BindingDB Entry DOI: 10.7270/Q2VM4FH6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50011537 (CHEMBL3262562) Show SMILES Nc1cccc(c1)-c1cnco1 Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	9.30E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50455628 (CHEMBL4216063) Show SMILES Cn1ccc2cc(N)ccc12 Show InChI InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	1.11E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607974 (CHEMBL5275733) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	1.15E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) Show SMILES C(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	1.18E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50365134 (CHEMBL1949840) Show SMILES Fc1cccc2nc[nH]c(=O)c12 Show InChI InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	1.28E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607973 (CHEMBL5278022) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	1.66E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607975 (CHEMBL5285114) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	n/a	2.62E+7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Mixed type inhibition of PHGDH (unknown origin) using 3-PG as substrate incubated for 20 mins in presence of , PSAT1, PSPH and varying NAD+ by diapho...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230352 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM58473 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	8.0	25
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...				Nat Chem Biol 12: 452-8 (2016) Article DOI: 10.1038/nchembio.2070 BindingDB Entry DOI: 10.7270/Q2H70DN5
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM195605 (NCT-502 | US11225469, Compound 72) 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	8.0	25
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...				Nat Chem Biol 12: 452-8 (2016) Article DOI: 10.1038/nchembio.2070 BindingDB Entry DOI: 10.7270/Q2H70DN5
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM195606 (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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.0	25
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...				Nat Chem Biol 12: 452-8 (2016) Article DOI: 10.1038/nchembio.2070 BindingDB Entry DOI: 10.7270/Q2H70DN5
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM195607 (PHGDH-inactive | US11225469, Compound 71) 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.70E+4	n/a	n/a	n/a	n/a	8.0	25
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...				Nat Chem Biol 12: 452-8 (2016) Article DOI: 10.1038/nchembio.2070 BindingDB Entry DOI: 10.7270/Q2H70DN5
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209925 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209926 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209927 (PKUMDL-WQ-2203) Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)C(SCC(O)=O)=C(SCC(O)=O)C1=O |c:5,t:19| 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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209928 (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 |r| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	7.1	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	7.4	n/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) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230342 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.89E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/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

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