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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Tryptophan-rich sensory protein/translocator protein (TSPO) (Fremyella diplosiphon (Cyanobacterium)) | BDBM209868 (3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
More data for this Ligand-Target Pair |