Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'mullarky' and Initial = 'e'   

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))	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))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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))	BDBM50512573 (CHEMBL4476654) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(CC(O)=O)c1cccnc1 Show InChI InChI=1S/C27H23Cl2N3O4/c1-32-22-9-8-21(28)25(29)20(22)11-23(32)26(35)31-27(14-36-15-27)18-6-4-16(5-7-18)19(12-24(33)34)17-3-2-10-30-13-17/h2-11,13,19H,12,14-15H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512582 (CHEMBL4578644) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H18Cl2N2O4/c1-25-16-7-6-15(22)19(23)14(16)9-17(25)20(28)24-21(10-29-11-21)13-4-2-12(3-5-13)8-18(26)27/h2-7,9H,8,10-11H2,1H3,(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512587 (CHEMBL4452531) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)c(F)c1 Show InChI InChI=1S/C21H17Cl2FN2O4/c1-26-16-5-4-14(22)19(23)13(16)8-17(26)20(29)25-21(9-30-10-21)12-3-2-11(6-18(27)28)15(24)7-12/h2-5,7-8H,6,9-10H2,1H3,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512589 (CHEMBL4455598) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C20H15Cl2FN2O4/c1-25-15-5-4-13(21)17(22)12(15)7-16(25)18(26)24-20(8-29-9-20)10-2-3-11(19(27)28)14(23)6-10/h2-7H,8-9H2,1H3,(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512571 (CHEMBL4576611) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)NC(CO)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19ClN2O5/c1-23-16-9-18(28-2)14(21)7-13(16)8-17(23)19(25)22-15(10-24)11-3-5-12(6-4-11)20(26)27/h3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512590 (CHEMBL4466146) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)N[C@H](C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)17-9-14-8-15(21)18(27-3)10-16(14)23(17)2/h4-11H,1-3H3,(H,22,24)(H,25,26)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
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	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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))	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	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) by surface plasmon resonance method				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))	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	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin)				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))	BDBM50512585 (CHEMBL4445276) Show SMILES CONC(=O)Cc1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C Show InChI InChI=1S/C22H21Cl2N3O4/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-31-12-22)14-5-3-13(4-6-14)9-19(28)26-30-2/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512583 (CHEMBL4529734) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(=O)NS(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21Cl2N3O5S/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-32-12-22)14-5-3-13(4-6-14)9-19(28)26-33(2,30)31/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512572 (CHEMBL4556384) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512581 (CHEMBL4473812) Show SMILES CCOC(=O)C(c1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1cccnc1 Show InChI InChI=1S/C28H25Cl2N3O4/c1-3-37-27(35)24(18-5-4-12-31-14-18)17-6-8-19(9-7-17)28(15-36-16-28)32-26(34)23-13-20-22(33(23)2)11-10-21(29)25(20)30/h4-14,24H,3,15-16H2,1-2H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512586 (CHEMBL4589459) Show SMILES CC(OC(C)=O)OC(=O)C(c1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1cccnc1 Show InChI InChI=1S/C30H27Cl2N3O6/c1-17(36)40-18(2)41-29(38)26(20-5-4-12-33-14-20)19-6-8-21(9-7-19)30(15-39-16-30)34-28(37)25-13-22-24(35(25)3)11-10-23(31)27(22)32/h4-14,18,26H,15-16H2,1-3H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512579 (CHEMBL4442828) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CO)cc1 Show InChI InChI=1S/C20H18Cl2N2O3/c1-24-16-7-6-15(21)18(22)14(16)8-17(24)19(26)23-20(10-27-11-20)13-4-2-12(9-25)3-5-13/h2-8,25H,9-11H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				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
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	n/a	n/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 ((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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/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
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462535 (CHEMBL4238792) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)cc1 Show InChI InChI=1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230347 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	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))	BDBM50230353 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate addition				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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate addition				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
Isocitrate dehydrogenase [NADP] cytoplasmic (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate addition				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
Malate dehydrogenase, cytoplasmic (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition				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
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition				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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate addition				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
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition				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
Malate dehydrogenase, cytoplasmic (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition				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
L-lactate dehydrogenase A chain (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate addition				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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate addition				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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate addition				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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate addition				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
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462533 (CHEMBL4244961) Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)c1 Show InChI InChI=1S/C20H19F3N4O/c21-20(22,23)14-3-1-4-15(13-14)25-19(28)27-11-9-26(10-12-27)18-6-2-5-17-16(18)7-8-24-17/h1-8,13,24H,9-12H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230347 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462466 (CHEMBL4237572) Show SMILES CC(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)cc1 Show InChI InChI=1S/C21H22N4O2/c1-15(26)16-5-7-17(8-6-16)23-21(27)25-13-11-24(12-14-25)20-4-2-3-19-18(20)9-10-22-19/h2-10,22H,11-14H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462473 (CHEMBL4245427) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)cc1 Show InChI InChI=1S/C20H19F3N4O/c21-20(22,23)14-4-6-15(7-5-14)25-19(28)27-12-10-26(11-13-27)18-3-1-2-17-16(18)8-9-24-17/h1-9,24H,10-13H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462496 (CHEMBL4246401) Show SMILES Brc1ccc(NC(=O)N2CCN(CC2)c2cccc3[nH]ccc23)cc1 Show InChI InChI=1S/C19H19BrN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 192 total )  |  Next  |  Last  >>

Jump to: