Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'pacold' and Initial = 'me'   

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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM15234 ((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.4	22
MRC					Assay Description Ptdlns 3-kinase enzyme activity was assayed by its converting Ptdlns(4,5)P2 into PtdIns(3,4,5)P3 in the presence of radioactive ATP. After reaction,...				Mol Cell 6: 909-19 (2000) Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM15234 ((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262092 (5-[Methyl-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-ami...) Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(=O)CCCCN(C)c1ccc([N+]([O-])=O)c2nonc12)C3=O |r,t:16| Show InChI InChI=1S/C33H34N4O11/c1-32-13-20(46-23(39)7-5-6-12-36(3)18-9-10-19(37(42)43)28-27(18)34-48-35-28)26-24(17(32)8-11-21(32)38)29(40)30-25-16(14-45-30)31(41)47-22(15-44-4)33(25,26)2/h9-10,14,17,20,22H,5-8,11-13,15H2,1-4H3/t17-,20+,22+,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262097 (1-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) Show SMILES COC[C@H]1OC(=O)C(=CN2CCCC2C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:23| Show InChI InChI=1S/C28H33NO10/c1-13(30)38-17-10-27(2)15(7-8-18(27)31)20-22(17)28(3)19(12-37-4)39-26(36)14(21(28)24(33)23(20)32)11-29-9-5-6-16(29)25(34)35/h11,15-17,19,21H,5-10,12H2,1-4H3,(H,34,35)/t15-,16?,17+,19+,21?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262093 (11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-((me...) Show SMILES COC[C@H]1OC(=O)C(=CN(C)c2ccncc2)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:23| Show InChI InChI=1S/C29H32N2O8/c1-15(32)38-19-12-28(2)18(6-7-20(28)33)22-24(19)29(3)21(14-37-5)39-27(36)17(23(29)26(35)25(22)34)13-31(4)16-8-10-30-11-9-16/h8-11,13,18-19,21,23H,6-7,12,14H2,1-5H3/t18-,19+,21+,23?,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262095 ((Z)-6-(((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a...) Show SMILES COC[C@H]1OC(=O)C(=CN(C)CCCCCC(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:24| Show InChI InChI=1S/C30H39NO10/c1-16(32)40-19-13-29(2)18(10-11-20(29)33)23-25(19)30(3)21(15-39-5)41-28(38)17(24(30)27(37)26(23)36)14-31(4)12-8-6-7-9-22(34)35/h14,18-19,21,24H,6-13,15H2,1-5H3,(H,34,35)/t18-,19+,21+,24?,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262096 (6-(((11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-5...) Show SMILES COCC1OC(=O)C([CH-]N(C)CCCCCC(O)=O)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C |t:18,24| Show InChI InChI=1S/C40H48N5O13/c1-39-19-26(56-30(49)12-8-10-18-44(4)24-14-15-25(45(53)54)35-34(24)41-58-42-35)33-31(23(39)13-16-27(39)46)36(50)37(51)32-22(20-43(3)17-9-6-7-11-29(47)48)38(52)57-28(21-55-5)40(32,33)2/h14-15,20,23,26,28H,6-13,16-19,21H2,1-5H3,(H,47,48)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262094 (11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-((me...) Show SMILES COCC1OC(=O)C([CH-]N(C)c2ccncc2)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C |t:17,23| Show InChI InChI=1S/C39H41N6O11/c1-38-18-26(54-29(47)8-6-7-17-43(3)24-10-11-25(45(51)52)34-33(24)41-56-42-34)32-30(23(38)9-12-27(38)46)35(48)36(49)31-22(19-44(4)21-13-15-40-16-14-21)37(50)55-28(20-53-5)39(31,32)2/h10-11,13-16,19,23,26,28H,6-9,12,17-18,20H2,1-5H3/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.40E+3	210	n/a	n/a	n/a	7.2	20
MRC					Assay Description Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit...				Mol Cell 6: 909-19 (2000) Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.80E+3	170	n/a	n/a	n/a	7.2	20
MRC					Assay Description Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit...				Mol Cell 6: 909-19 (2000) Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	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))	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
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.80E+3	280	n/a	n/a	n/a	7.2	20
MRC					Assay Description Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit...				Mol Cell 6: 909-19 (2000) Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271477 (CHEMBL4129748) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N4S/c1-13-11-14(2)23-17(12-13)24-18(27)26-9-7-25(8-10-26)16-5-3-15(4-6-16)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271521 (CHEMBL2140870) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)c1 Show InChI InChI=1S/C20H23F3N4S/c1-14-10-15(2)24-18(11-14)25-19(28)27-8-6-26(7-9-27)13-16-4-3-5-17(12-16)20(21,22)23/h3-5,10-12H,6-9,13H2,1-2H3,(H,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	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	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate in pres...				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))	BDBM50271523 (CHEMBL4129229 | US11225469, Compound 252) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCC(C2)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C20H23F3N4S/c1-13-10-14(2)24-18(11-13)26-19(28)27-9-3-4-17(12-27)25-16-7-5-15(6-8-16)20(21,22)23/h5-8,10-11,17,25H,3-4,9,12H2,1-2H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271429 (CHEMBL4125702 | US11225469, Compound 294) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(cc3)C(F)(F)F)C(CO)C2)c1 Show InChI InChI=1S/C21H25F3N4OS/c1-14-9-15(2)25-19(10-14)26-20(30)28-8-7-27(18(12-28)13-29)11-16-3-5-17(6-4-16)21(22,23)24/h3-6,9-10,18,29H,7-8,11-13H2,1-2H3,(H,25,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271412 (CHEMBL4125871 | US11225469, Compound 278) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3C(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)13-16-5-3-4-6-17(16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271461 (CHEMBL2143378 | US11225469, Compound 26) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C18H16F6N4S/c19-17(20,21)12-2-1-3-14(10-12)27-6-8-28(9-7-27)16(29)26-15-11-13(4-5-25-15)18(22,23)24/h1-5,10-11H,6-9H2,(H,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271417 (CHEMBL4127018 | US11225469, Compound 250) Show SMILES Cc1cc(C)nc(NC(=S)N2CCC(CC2)Nc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H23F3N4S/c1-13-10-14(2)24-18(11-13)26-19(28)27-8-6-16(7-9-27)25-17-5-3-4-15(12-17)20(21,22)23/h3-5,10-12,16,25H,6-9H2,1-2H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271438 (CHEMBL2137247 | US11225469, Compound 35) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)Nc1ccccn1 Show InChI InChI=1S/C17H17F3N4S/c18-17(19,20)13-4-3-5-14(12-13)23-8-10-24(11-9-23)16(25)22-15-6-1-2-7-21-15/h1-7,12H,8-11H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271522 (CHEMBL4126002 | US11225469, Compound 251) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCC(C2)Nc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H23F3N4S/c1-13-9-14(2)24-18(10-13)26-19(28)27-8-4-7-17(12-27)25-16-6-3-5-15(11-16)20(21,22)23/h3,5-6,9-11,17,25H,4,7-8,12H2,1-2H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271425 (CHEMBL4126752) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1 Show InChI InChI=1S/C21H25F3N4S/c1-15-12-16(2)25-19(13-15)26-20(29)28-9-3-8-27(10-11-28)14-17-4-6-18(7-5-17)21(22,23)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271396 (CHEMBL4129360) Show SMILES CN(CCN(C)C(=S)Nc1cc(C)cc(C)n1)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H25F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27(4)10-9-26(3)13-16-5-7-17(8-6-16)20(21,22)23/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271418 (CHEMBL4128391 | US11225469, Compound 258) Show SMILES Cc1cc(C)nc(NC(=S)N2CCC(CC2)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C20H23F3N4S/c1-13-11-14(2)24-18(12-13)26-19(28)27-9-7-17(8-10-27)25-16-5-3-15(4-6-16)20(21,22)23/h3-6,11-12,17,25H,7-10H2,1-2H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271426 (CHEMBL4129099) Show SMILES CC(N1CCN(CC1)C(=S)Nc1cc(C)cc(C)n1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H25F3N4S/c1-14-12-15(2)25-19(13-14)26-20(29)28-10-8-27(9-11-28)16(3)17-4-6-18(7-5-17)21(22,23)24/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271427 (CHEMBL4127154 | US11225469, Compound 275) Show SMILES CC1CN(CCN1Cc1ccc(cc1)C(F)(F)F)C(=S)Nc1cc(C)cc(C)n1 Show InChI InChI=1S/C21H25F3N4S/c1-14-10-15(2)25-19(11-14)26-20(29)28-9-8-27(16(3)12-28)13-17-4-6-18(7-5-17)21(22,23)24/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271476 (CHEMBL4127403) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N4S/c1-13-11-14(2)23-17(12-13)24-18(27)26-9-7-25(8-10-26)16-6-4-3-5-15(16)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271415 (CHEMBL4125786 | US11225469, Compound 264) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCC(C2)NC(=O)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H23F3N4OS/c1-13-10-14(2)25-18(11-13)27-20(30)28-9-3-4-17(12-28)26-19(29)15-5-7-16(8-6-15)21(22,23)24/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,26,29)(H,25,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271458 (CHEMBL3559789 | US11225469, Compound 30) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)Nc1cccnc1 Show InChI InChI=1S/C17H17F3N4S/c18-17(19,20)13-3-1-5-15(11-13)23-7-9-24(10-8-23)16(25)22-14-4-2-6-21-12-14/h1-6,11-12H,7-10H2,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.00E+3	290	n/a	n/a	n/a	7.2	20
MRC					Assay Description Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit...				Mol Cell 6: 909-19 (2000) Article DOI: 10.1016/s1097-2765(05)00089-4 BindingDB Entry DOI: 10.7270/Q22F7KPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271434 (CHEMBL4128309 | US11225469, Compound 276) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3C)CC2)c1 Show InChI InChI=1S/C20H26N4S/c1-15-12-17(3)21-19(13-15)22-20(25)24-10-8-23(9-11-24)14-18-7-5-4-6-16(18)2/h4-7,12-13H,8-11,14H2,1-3H3,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271422 (CHEMBL4126183) Show SMILES Cc1cc(C)nc(NC(=S)NCCNCc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C18H21F3N4S/c1-12-9-13(2)24-16(10-12)25-17(26)23-8-7-22-11-14-3-5-15(6-4-14)18(19,20)21/h3-6,9-10,22H,7-8,11H2,1-2H3,(H2,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271398 (CHEMBL4126631 | US11225469, Compound 297) Show SMILES C[C@H]1CN(CCN1Cc1ccc(cc1)C(F)(F)F)C(=S)Nc1cc(C)cc(C)n1 |r| Show InChI InChI=1S/C21H25F3N4S/c1-14-10-15(2)25-19(11-14)26-20(29)28-9-8-27(16(3)12-28)13-17-4-6-18(7-5-17)21(22,23)24/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,25,26,29)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271420 (CHEMBL4129623 | US11225469, Compound 266) Show SMILES Cc1cc(C)nc(NC(=S)N2CCC(CC2)NC(=O)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H23F3N4OS/c1-13-11-14(2)25-18(12-13)27-20(30)28-9-7-17(8-10-28)26-19(29)15-3-5-16(6-4-15)21(22,23)24/h3-6,11-12,17H,7-10H2,1-2H3,(H,26,29)(H,25,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271405 (CHEMBL4125915 | US11225469, Compound 262) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCC(C2)NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H23F3N4OS/c1-13-9-14(2)25-18(10-13)27-20(30)28-8-4-7-17(12-28)26-19(29)15-5-3-6-16(11-15)21(22,23)24/h3,5-6,9-11,17H,4,7-8,12H2,1-2H3,(H,26,29)(H,25,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262138 (5-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-d...) Show SMILES COC[C@H]1OC(=O)C(=CNCCCCC(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:22| Show InChI InChI=1S/C28H35NO10/c1-14(30)38-17-11-27(2)16(8-9-18(27)31)21-23(17)28(3)19(13-37-4)39-26(36)15(22(28)25(35)24(21)34)12-29-10-6-5-7-20(32)33/h12,16-17,19,22,29H,5-11,13H2,1-4H3,(H,32,33)/t16-,17+,19+,22?,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271474 (CHEMBL2144036 | US11225469, Compound 34) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C21H19F3N4S/c22-21(23,24)16-5-3-6-17(14-16)27-10-12-28(13-11-27)20(29)26-19-9-8-15-4-1-2-7-18(15)25-19/h1-9,14H,10-13H2,(H,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES COC[C@H]1OC(=O)C(=CNCCCCC(NC(C)=O)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:27| Show InChI InChI=1S/C31H40N2O11/c1-15(34)33-19(28(39)40)8-6-7-11-32-13-17-24-27(38)26(37)23-18-9-10-21(36)30(18,3)12-20(43-16(2)35)25(23)31(24,4)22(14-42-5)44-29(17)41/h13,18-20,22,24,32H,6-12,14H2,1-5H3,(H,33,34)(H,39,40)/t18-,19?,20+,22+,24?,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262043 (6-((11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-5-...) Show SMILES COCC1OC(=O)C([CH-]NCCCCCC(O)=O)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C |t:17,23| Show InChI InChI=1S/C39H46N5O13/c1-38-18-25(55-29(48)11-7-9-17-43(3)23-13-14-24(44(52)53)34-33(23)41-57-42-34)32-30(22(38)12-15-26(38)45)35(49)36(50)31-21(19-40-16-8-5-6-10-28(46)47)37(51)56-27(20-54-4)39(31,32)2/h13-14,19,22,25,27,40H,5-12,15-18,20H2,1-4H3,(H,46,47)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271506 (CHEMBL2135778 | US11225469, Compound 116) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2cccc(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H20F3N5S/c1-12-10-13(2)22-15(11-12)24-17(27)26-8-6-25(7-9-26)16-5-3-4-14(23-16)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271410 (CHEMBL4127362 | US11225469, Compound 284) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(Cl)c3)CC2)c1 Show InChI InChI=1S/C19H23ClN4S/c1-14-10-15(2)21-18(11-14)22-19(25)24-8-6-23(7-9-24)13-16-4-3-5-17(20)12-16/h3-5,10-12H,6-9,13H2,1-2H3,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271414 (CHEMBL4128834 | US11225469, Compound 296) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 Show InChI InChI=1S/C20H23F3N4OS/c1-14-11-15(2)24-18(12-14)25-19(29)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)28-20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271419 (CHEMBL4128252 | US11225469, Compound 263) Show SMILES Cc1cc(C)nc(NC(=S)N2CCC(CC2)NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H23F3N4OS/c1-13-10-14(2)25-18(11-13)27-20(30)28-8-6-17(7-9-28)26-19(29)15-4-3-5-16(12-15)21(22,23)24/h3-5,10-12,17H,6-9H2,1-2H3,(H,26,29)(H,25,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271428 (CHEMBL4128967 | US11225469, Compound 298) Show SMILES C[C@@H]1CN(CCN1Cc1ccc(cc1)C(F)(F)F)C(=S)Nc1cc(C)cc(C)n1 |r| Show InChI InChI=1S/C21H25F3N4S/c1-14-10-15(2)25-19(11-14)26-20(29)28-9-8-27(16(3)12-28)13-17-4-6-18(7-5-17)21(22,23)24/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,25,26,29)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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))	BDBM50271416 (CHEMBL4127149) Show SMILES Cc1cc(C)nc(NC(=S)N2CCCC(C2)NCc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H25F3N4S/c1-14-10-15(2)26-19(11-14)27-20(29)28-9-3-4-18(13-28)25-12-16-5-7-17(8-6-16)21(22,23)24/h5-8,10-11,18,25H,3-4,9,12-13H2,1-2H3,(H,26,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				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

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