BindingDB PrimarySearch

BDBM209868 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)::Haemin::Heme

SMILES: Cc1c(C=C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C

InChI Key: InChIKey=PRFMATRBBQRQBM-UJJXFSCMSA-L

Data: 1 IC50 12 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 209868
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tryptophan-rich sensory protein/translocator protein (TSPO) (Fremyella diplosiphon (Cyanobacterium))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...				Biochemistry 56: 73-84 (2017) Article DOI: 10.1021/acs.biochem.6b01019 BindingDB Entry DOI: 10.7270/Q2F47N0J
Michigan State University					More data for this Ligand-Target Pair
Chlorite dismutase (HemQ) (Staphylococcus aureus)	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	6.8	25
University of Notre Dame					Assay Description All UV-visible spectra were measured on a Varian Cary 50 spectrometer with temperature control from a Peltier cooler. The holo-enzyme was titrated in...				J Biol Chem 288: 23488-504 (2013) Article DOI: 10.1074/jbc.M112.442335 BindingDB Entry DOI: 10.7270/Q21R6PC0
University of Notre Dame					More data for this Ligand-Target Pair
Chlorite dismutase (HemQ) (Staphylococcus aureus)	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.68E+3	n/a	n/a	n/a	6.8	n/a
University of Notre Dame					Assay Description Titrations using fluorescence spectroscopy were carried out on a Jobin Yvon Horiba FluoroMax-3 fluorimeter in scanning mode. Apo-HemQ (5 μM) was...				J Biol Chem 288: 23488-504 (2013) Article DOI: 10.1074/jbc.M112.442335 BindingDB Entry DOI: 10.7270/Q21R6PC0
University of Notre Dame					More data for this Ligand-Target Pair
His8-Native/His8-Native (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-Native/FLAG-Native (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-Y385F/His8-Y385F (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
Glutathione transferase (GST) (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Zimbabwe					Assay Description A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...				J Enzyme Inhib Med Chem 25: 854-62 (2010) Article DOI: 10.3109/14756366.2010.486793 BindingDB Entry DOI: 10.7270/Q2D21WGF
University of Zimbabwe					More data for this Ligand-Target Pair
His8-Y385F R120A/FLAG-Native (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	620	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-R120Q/His8-R120Q (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-R120A/His8-R120A (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	750	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-S530A/His8-S530A (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-S530A/FLAG-Native (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair
His8-Y385F/FLAG-Native (Homo sapiens (Human))	BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	8.0	n/a
University of Michigan Medical School					Assay Description POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the in...				J Biol Chem 288: 28641-55 (2013) Article DOI: 10.1074/jbc.M113.505503 BindingDB Entry DOI: 10.7270/Q23N227T
University of Michigan Medical School					More data for this Ligand-Target Pair