Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'smart' and Initial = 'tj'   

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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50424584 (CHEMBL2312530) Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O |w:8.8| Show InChI InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26113 (2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...) Show SMILES OC(=O)c1ccnc(c1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26122 ((2E)-but-2-enedioic acid | FUMARIC ACID | Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50244093 (1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...) Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin)				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26121 (SUCCINIC ACID | Substrate analogue, 11 | Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin)				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26122 ((2E)-but-2-enedioic acid | FUMARIC ACID | Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26113 (2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...) Show SMILES OC(=O)c1ccnc(c1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50424584 (CHEMBL2312530) Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O |w:8.8| Show InChI InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [13C]-2OG from catalytic domain of PHD2 (181 to 426) (unknown origin) expressed in Escherichia coli				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50424584 (CHEMBL2312530) Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O |w:8.8| Show InChI InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [13C]-2OG from catalytic domain of PHD2 (181 to 426) (unknown origin) expressed in Escherichia coli				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50303766 (2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...) Show SMILES OC(=O)CCC(=O)C(O)=O Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by 1H-15N HSQC titration assay				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair				3D Structure (crystal)