BDBM26122 (2E)-but-2-enedioic acid::FUMARIC ACID::Fumarate::fumarate, 10

SMILES: OC(=O)\C=C\C(O)=O

InChI Key: InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-N

Data: 2 KI  4 IC50  2 Kd  1 ITC

PDB links: 62 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 26122   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier family 22 member 6 (Mus musculus)	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+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
					More data for this Ligand-Target Pair
Solute carrier family 22 member 20 (Mus musculus)	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+	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.16E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
					More data for this Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO (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 antibodypedia GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...				J Med Chem 56: 3680-8 (2013) Article DOI: 10.1021/jm400193d BindingDB Entry DOI: 10.7270/Q21V5GBQ
					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	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 NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
					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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI 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
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	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+	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	20
CSIC					Assay Description Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).				J Biol Chem 285: 23126-36 (2010) Article DOI: 10.1074/jbc.M110.110403 BindingDB Entry DOI: 10.7270/Q2K64GNS
					More data for this Ligand-Target Pair
Histone Lysine Demethylase (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26122

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM26122 ((2E)-but-2-enedioic acid | FUMARIC ACID | Fumarate...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB		-6.39	7.00	-13.3	4.77	n/a	20
CSIC					J Biol Chem 285: 23126-36 (2010)