Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'noguchi' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Mixed type inhibition of PHGDH (unknown origin) using 3-PG as substrate incubated for 20 mins in presence of , PSAT1, PSPH and varying NAD+ by diapho...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50245999 (CHEMBL4084502) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50245999 (CHEMBL4084502) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50245998 (CHEMBL4064555) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50245998 (CHEMBL4064555) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246049 (CHEMBL4102458) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246049 (CHEMBL4102458) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246023 (CHEMBL4060775) Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246000 (CHEMBL4070383) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246000 (CHEMBL4070383) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246023 (CHEMBL4060775) Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246000 (CHEMBL4070383) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246000 (CHEMBL4070383) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246076 (CHEMBL4063561) Show SMILES Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246045 (CHEMBL4090490) Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246045 (CHEMBL4090490) Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246007 (CHEMBL4104260) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512573 (CHEMBL4476654) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(CC(O)=O)c1cccnc1 Show InChI InChI=1S/C27H23Cl2N3O4/c1-32-22-9-8-21(28)25(29)20(22)11-23(32)26(35)31-27(14-36-15-27)18-6-4-16(5-7-18)19(12-24(33)34)17-3-2-10-30-13-17/h2-11,13,19H,12,14-15H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512582 (CHEMBL4578644) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H18Cl2N2O4/c1-25-16-7-6-15(22)19(23)14(16)9-17(25)20(28)24-21(10-29-11-21)13-4-2-12(3-5-13)8-18(26)27/h2-7,9H,8,10-11H2,1H3,(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512587 (CHEMBL4452531) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)c(F)c1 Show InChI InChI=1S/C21H17Cl2FN2O4/c1-26-16-5-4-14(22)19(23)13(16)8-17(26)20(29)25-21(9-30-10-21)12-3-2-11(6-18(27)28)15(24)7-12/h2-5,7-8H,6,9-10H2,1H3,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512589 (CHEMBL4455598) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C20H15Cl2FN2O4/c1-25-15-5-4-13(21)17(22)12(15)7-16(25)18(26)24-20(8-29-9-20)10-2-3-11(19(27)28)14(23)6-10/h2-7H,8-9H2,1H3,(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50245997 (CHEMBL4072166) Show SMILES Cn1c2ccccc2n(Cc2cc(O)c(Cl)cc2Cl)c1=O Show InChI InChI=1S/C15H12Cl2N2O2/c1-18-12-4-2-3-5-13(12)19(15(18)21)8-9-6-14(20)11(17)7-10(9)16/h2-7,20H,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246047 (CHEMBL4097127) Show SMILES CCn1cc(C(=O)N(C)C(C)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C20H21FN2O/c1-4-23-13-18(17-7-5-6-8-19(17)23)20(24)22(3)14(2)15-9-11-16(21)12-10-15/h5-14H,4H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246065 (CHEMBL4066595) Show SMILES Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246022 (CHEMBL4080025) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(F)c1 Show InChI InChI=1S/C15H11F2NO2/c16-11-6-4-10(5-7-11)14-9-18(15(19)20-14)13-3-1-2-12(17)8-13/h1-8,14H,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246007 (CHEMBL4104260) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246065 (CHEMBL4066595) Show SMILES Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246006 (CHEMBL4087912) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(c1)C#N Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246046 (CHEMBL4069465) Show SMILES Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1 Show InChI InChI=1S/C16H12Cl2FNO2/c17-12-4-1-11(14(18)7-12)8-20-9-15(22-16(20)21)10-2-5-13(19)6-3-10/h1-7,15H,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246066 (CHEMBL4085437) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1ccccc1 Show InChI InChI=1S/C15H12FNO2/c16-12-8-6-11(7-9-12)14-10-17(15(18)19-14)13-4-2-1-3-5-13/h1-9,14H,10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246046 (CHEMBL4069465) Show SMILES Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1 Show InChI InChI=1S/C16H12Cl2FNO2/c17-12-4-1-11(14(18)7-12)8-20-9-15(22-16(20)21)10-2-5-13(19)6-3-10/h1-7,15H,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246022 (CHEMBL4080025) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(F)c1 Show InChI InChI=1S/C15H11F2NO2/c16-11-6-4-10(5-7-11)14-9-18(15(19)20-14)13-3-1-2-12(17)8-13/h1-8,14H,9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246006 (CHEMBL4087912) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(c1)C#N Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246066 (CHEMBL4085437) Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1ccccc1 Show InChI InChI=1S/C15H12FNO2/c16-12-8-6-11(7-9-12)14-10-17(15(18)19-14)13-4-2-1-3-5-13/h1-9,14H,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512571 (CHEMBL4576611) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)NC(CO)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19ClN2O5/c1-23-16-9-18(28-2)14(21)7-13(16)8-17(23)19(25)22-15(10-24)11-3-5-12(6-4-11)20(26)27/h3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512590 (CHEMBL4466146) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)N[C@H](C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)17-9-14-8-15(21)18(27-3)10-16(14)23(17)2/h4-11H,1-3H3,(H,22,24)(H,25,26)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) by surface plasmon resonance method				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin)				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512585 (CHEMBL4445276) Show SMILES CONC(=O)Cc1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C Show InChI InChI=1S/C22H21Cl2N3O4/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-31-12-22)14-5-3-13(4-6-14)9-19(28)26-30-2/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246048 (CHEMBL4079106) Show SMILES COc1ccc(CN(C)C(=O)c2ccc3OCOc3c2)c(OC)c1 Show InChI InChI=1S/C18H19NO5/c1-19(10-13-4-6-14(21-2)9-16(13)22-3)18(20)12-5-7-15-17(8-12)24-11-23-15/h4-9H,10-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50245996 (CHEMBL4091399) Show SMILES COc1ccc(OC)c(c1)N1CCN(C(C)C1=O)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O4/c1-13-19(24)23(17-12-16(26-2)8-9-18(17)27-3)11-10-22(13)20(25)14-4-6-15(21)7-5-14/h4-9,12-13H,10-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246063 (CHEMBL4073142) Show SMILES C[C@@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512583 (CHEMBL4529734) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(=O)NS(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21Cl2N3O5S/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-32-12-22)14-5-3-13(4-6-14)9-19(28)26-33(2,30)31/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50246064 (CHEMBL4062788) Show SMILES CC1(C)C(OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C18H15FN2O2/c1-18(2)16(13-6-8-14(19)9-7-13)23-17(22)21(18)15-5-3-4-12(10-15)11-20/h3-10,16H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512572 (CHEMBL4556384) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50246076 (CHEMBL4063561) Show SMILES Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...				J Med Chem 60: 8963-8981 (2017) Article DOI: 10.1021/acs.jmedchem.7b01210 BindingDB Entry DOI: 10.7270/Q23N25S7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 127 total )  |  Next  |  Last  >>

Jump to: