Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'quant' and Initial = 'j'   

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))	BDBM50519121 (CHEMBL4436264 | US11304929, Example 03-005) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519122 (CHEMBL4467246 | US11304929, Example 03-009) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21ClN2O5S/c1-12-8-17(22)16-10-19(24(3)18(16)9-12)21(27)23-13(2)14-4-6-15(7-5-14)30(28,29)11-20(25)26/h4-10,13H,11H2,1-3H3,(H,23,27)(H,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519130 (CHEMBL4520837 | US11304929, Example 03-006) Show SMILES Cc1cc2n(C)c(cc2c(Cl)c1Cl)C(=O)N[C@H](CO)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O6S/c1-11-7-16-14(20(23)19(11)22)8-17(25(16)2)21(29)24-15(9-26)12-3-5-13(6-4-12)32(30,31)10-18(27)28/h3-8,15,26H,9-10H2,1-2H3,(H,24,29)(H,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519121 (CHEMBL4436264 | US11304929, Example 03-005) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519122 (CHEMBL4467246 | US11304929, Example 03-009) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21ClN2O5S/c1-12-8-17(22)16-10-19(24(3)18(16)9-12)21(27)23-13(2)14-4-6-15(7-5-14)30(28,29)11-20(25)26/h4-10,13H,11H2,1-3H3,(H,23,27)(H,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519137 (CHEMBL4539932) Show SMILES CC(=O)NS(=O)(=O)N1CCC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C(CC(O)=O)C1 Show InChI InChI=1S/C19H22Cl2N4O6S/c1-10(26)23-32(30,31)25-6-5-14(11(9-25)7-17(27)28)22-19(29)16-8-12-15(24(16)2)4-3-13(20)18(12)21/h3-4,8,11,14H,5-7,9H2,1-2H3,(H,22,29)(H,23,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of His6-tagged PHGDH (unknown origin) expressed in Escherichia coli BL21 assessed as effect on NADH fluorescence incubated for 60 mins usi...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human VEGFR3				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Mus musculus)	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of mouse GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519120 (CHEMBL4438014) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H18Cl2N2O3/c1-10-8-15-14(18(22)17(10)21)9-16(24(15)3)19(25)23-11(2)12-4-6-13(7-5-12)20(26)27/h4-9,11H,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human Lck				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519114 (CHEMBL4458393 | US11304929, Example 04-001) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21N3O5S/c1-14(15-8-10-17(11-9-15)30(28,29)13-20(25)26)22-21(27)19-12-18(23-24(19)2)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,27)(H,25,26)/t14-/m1/s1	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
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human Flt3				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519150 (CHEMBL4594097) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-16(21)15-10-18(23(3)17(15)9-11)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519093 (CHEMBL4522467) Show SMILES C[C@@H](NC(=O)c1cc2c(cc(C)c3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H22N2O3/c1-14-12-21-20(19-7-5-4-6-18(14)19)13-22(26(21)3)23(27)25-15(2)16-8-10-17(11-9-16)24(28)29/h4-13,15H,1-3H3,(H,25,27)(H,28,29)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519131 (CHEMBL4518579 | US11304929, Example 01-002) Show SMILES CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C |r| Show InChI InChI=1S/C23H24Cl2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of PHGDH in human MDA-MB-468 cells assessed as reduction in [13C]-serine incubated for 1 hr using [13C]glucose as substrate by LC-MS/MS an...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519118 (CHEMBL4473052) Show SMILES CCc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c2c1 |r| Show InChI InChI=1S/C21H21ClN2O3/c1-4-13-9-17(22)16-11-19(24(3)18(16)10-13)20(25)23-12(2)14-5-7-15(8-6-14)21(26)27/h5-12H,4H2,1-3H3,(H,23,25)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519090 (CHEMBL4469992) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16Cl2N2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)16-9-13-15(23(16)2)8-7-14(20)17(13)21/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human VEGFR1				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human FGFR2				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519117 (CHEMBL4474620) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-17-15(9-16(11)21)10-18(23(17)3)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519116 (CHEMBL4457646) Show SMILES C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O3/c1-14(15-7-9-17(10-8-15)23(27)28)24-22(26)21-13-19-18-6-4-3-5-16(18)11-12-20(19)25(21)2/h3-14H,1-2H3,(H,24,26)(H,27,28)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human PDGFRalpha				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519129 (CHEMBL4560125) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(Br)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16BrClN2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)17-8-13-7-15(21)14(20)9-16(13)23(17)2/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human FGFR1				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519136 (CHEMBL4565713) Show SMILES CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(C)=O Show InChI InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519092 (CHEMBL4437057) Show SMILES COc1cc(Cl)cc2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c12 |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)16-9-14-8-15(21)10-17(27-3)18(14)23(16)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	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519119 (CHEMBL4444192) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(cc2n1C)C(F)F)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H17ClF2N2O3/c1-10(11-3-5-12(6-4-11)20(27)28)24-19(26)17-9-14-15(21)7-13(18(22)23)8-16(14)25(17)2/h3-10,18H,1-2H3,(H,24,26)(H,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519120 (CHEMBL4438014) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H18Cl2N2O3/c1-10-8-15-14(18(22)17(10)21)9-16(24(15)3)19(25)23-11(2)12-4-6-13(7-5-12)20(26)27/h4-9,11H,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519108 (CHEMBL4446190) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)N1[C@@H](CCC1=O)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(16-8-10-18(11-9-16)28-20(24(31)32)12-13-22(28)29)25-23(30)21-14-19(26-27(21)2)17-6-4-3-5-7-17/h3-11,14-15,20H,12-13H2,1-2H3,(H,25,30)(H,31,32)/t15-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519134 (CHEMBL4588817) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(C)=O |r| Show InChI InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human FGFR3				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519153 (CHEMBL4460522) Show SMILES COc1cc(F)c(Cl)c2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c12 |r| Show InChI InChI=1S/C20H18ClFN2O4/c1-10(11-4-6-12(7-5-11)20(26)27)23-19(25)15-8-13-17(21)14(22)9-16(28-3)18(13)24(15)2/h4-10H,1-3H3,(H,23,25)(H,26,27)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human Src				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human Lyn				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519090 (CHEMBL4469992) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16Cl2N2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)16-9-13-15(23(16)2)8-7-14(20)17(13)21/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519150 (CHEMBL4594097) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-16(21)15-10-18(23(3)17(15)9-11)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519093 (CHEMBL4522467) Show SMILES C[C@@H](NC(=O)c1cc2c(cc(C)c3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H22N2O3/c1-14-12-21-20(19-7-5-4-6-18(14)19)13-22(26(21)3)23(27)25-15(2)16-8-10-17(11-9-16)24(28)29/h4-13,15H,1-3H3,(H,25,27)(H,28,29)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519149 (CHEMBL4446511) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H17ClN2O3/c1-11(12-3-5-13(6-4-12)19(24)25)21-18(23)17-10-14-9-15(20)7-8-16(14)22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519148 (CHEMBL4528650) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H22N4O4S/c1-14(15-9-11-17(12-10-15)20(26)24-30(3,28)29)22-21(27)19-13-18(23-25(19)2)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519118 (CHEMBL4473052) Show SMILES CCc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c2c1 |r| Show InChI InChI=1S/C21H21ClN2O3/c1-4-13-9-17(22)16-11-19(24(3)18(16)10-13)20(25)23-12(2)14-5-7-15(8-6-14)21(26)27/h5-12H,4H2,1-3H3,(H,23,25)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519129 (CHEMBL4560125) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(Br)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16BrClN2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)17-8-13-7-15(21)14(20)9-16(13)23(17)2/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519116 (CHEMBL4457646) Show SMILES C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O3/c1-14(15-7-9-17(10-8-15)23(27)28)24-22(26)21-13-19-18-6-4-3-5-16(18)11-12-20(19)25(21)2/h3-14H,1-2H3,(H,24,26)(H,27,28)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519101 (CHEMBL4435368) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519117 (CHEMBL4474620) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-17-15(9-16(11)21)10-18(23(17)3)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 4 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Austria GmbH Curated by ChEMBL					Assay Description Inhibition of human FGFR4				Cancer Res 68: 4774-82 (2008) Article DOI: 10.1158/0008-5472.CAN-07-6307 BindingDB Entry DOI: 10.7270/Q26M3715
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519119 (CHEMBL4444192) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(cc2n1C)C(F)F)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H17ClF2N2O3/c1-10(11-3-5-12(6-4-11)20(27)28)24-19(26)17-9-14-15(21)7-13(18(22)23)8-16(14)25(17)2/h3-10,18H,1-2H3,(H,24,26)(H,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519092 (CHEMBL4437057) Show SMILES COc1cc(Cl)cc2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c12 |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)16-9-14-8-15(21)10-17(27-3)18(14)23(16)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	746	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519096 (CHEMBL4561620) Show SMILES CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H21N3O3/c1-14(16-10-8-15(9-11-16)12-20(25)26)22-21(27)19-13-18(23-24(19)2)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,22,27)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair

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