Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'feron' and Initial = 'o'   

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))	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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442711 (CHEMBL2442509) Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442711 (CHEMBL2442509) Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442710 (CHEMBL1303766) Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442718 (CHEMBL2442512) Show SMILES OC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O Show InChI InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442710 (CHEMBL1303766) Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442717 (CHEMBL2442515) Show SMILES OC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O Show InChI InChI=1S/C17H11FO5/c18-12-4-1-10(2-5-12)9-22-13-6-3-11-7-14(16(19)20)17(21)23-15(11)8-13/h1-8H,9H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442716 (CHEMBL2442510) Show SMILES CN(C)c1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C12H11NO4/c1-13(2)8-4-3-7-5-9(11(14)15)12(16)17-10(7)6-8/h3-6H,1-2H3,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					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	1.40E+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 (unknown origin) by FLINT 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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442715 (CHEMBL2442513) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C17H12O5/c18-16(19)14-8-12-6-7-13(9-15(12)22-17(14)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442714 (CHEMBL1830821) Show SMILES COc1ccc2cc(C(O)=O)c(=O)oc2c1 Show InChI InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442713 (CHEMBL2442514) Show SMILES OC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O Show InChI InChI=1S/C18H14O5/c19-17(20)15-10-13-6-7-14(11-16(13)23-18(15)21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					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))	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 Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measur...				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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423841 (CHEMBL1934635) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2c(C)cccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCCCCCCCCCCCCN |r| Show InChI InChI=1S/C44H69N7O7/c1-29(2)26-35(48-37(52)27-33-20-22-34(23-21-33)47-44(58)51-40-31(5)18-17-19-32(40)6)41(55)49-36(28-38(53)54)42(56)50-39(30(3)4)43(57)46-25-16-14-12-10-8-7-9-11-13-15-24-45/h17-23,29-30,35-36,39H,7-16,24-28,45H2,1-6H3,(H,46,57)(H,48,52)(H,49,55)(H,50,56)(H,53,54)(H2,47,51,58)/t35-,36-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					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	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measur...				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))	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))	BDBM50232861 (CHEMBL2131647 | US11225469, Compound 24) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N4S/c1-13-10-14(2)23-17(11-13)24-18(27)26-8-6-25(7-9-26)16-5-3-4-15(12-16)19(20,21)22/h3-5,10-12H,6-9H2,1-2H3,(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measur...				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))	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))	BDBM50230362 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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 (unknown origin) expressed in Escherichia coli BL21 using 3-phosphoglycerate as substrate preincubated for 4 hrs followed by subs...				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))	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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442712 (CHEMBL2442508) Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCOCC1 Show InChI InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					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
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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442701 (CHEMBL2074836) Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1 Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423845 (CHEMBL1934639) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(O)=O)c(CCC(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)cc1 |r| Show InChI InChI=1S/C50H69N7O8S/c1-34-16-15-17-35(2)47(34)56-49(63)54-38-23-20-36(21-24-38)30-45(60)53-39-25-26-41(65-32-46(61)62)37(31-39)22-27-44(59)52-29-14-10-8-6-4-3-5-7-9-13-28-51-43(58)19-12-11-18-42-48-40(33-66-42)55-50(64)57-48/h15-17,20-21,23-26,31,40,42,48H,3-14,18-19,22,27-30,32-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,60)(H,61,62)(H2,54,56,63)(H2,55,57,64)/t40-,42-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					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	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measur...				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))	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
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	1.60E+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))	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	1.69E+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
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	1.76E+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 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 (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	1.83E+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
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	1.91E+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 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 (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	1.96E+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 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 (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	2.04E+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 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 (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	2.10E+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 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 (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	2.28E+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 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 ((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	2.43E+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 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 (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	2.57E+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 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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442709 (CHEMBL2442516) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]c1=O Show InChI InChI=1S/C17H13NO4/c19-16-14(17(20)21)8-12-6-7-13(9-15(12)18-16)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442708 (CHEMBL2442517) Show SMILES Cn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O Show InChI InChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442707 (CHEMBL2442503) Show SMILES CCn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O Show InChI InChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442706 (CHEMBL2442504) Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50442705 (CHEMBL2442505) Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C11H8O5/c1-5-7-3-2-6(12)4-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Exp£rimentale et Clinique (IREC) Curated by ChEMBL					Assay Description Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...				Bioorg Med Chem 21: 7107-17 (2013) Article DOI: 10.1016/j.bmc.2013.09.010 BindingDB Entry DOI: 10.7270/Q2H133G8
					More data for this Ligand-Target Pair

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