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BDBM22319 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid::Arachidonic acid::Arachidonic acid (AA)::CHEMBL15594::[1-14C]Arachidonic acid
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
InChI Key: InChIKey=YZXBAPSDXZZRGB-DOFZRALJSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.59E+3 | -7.74 | n/a | n/a | n/a | n/a | n/a | 8.2 | 30 |
Emory University School of Medicine | Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini... | J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid-binding protein 5 (FABP5)(DSm) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.01E+3 | -7.35 | n/a | n/a | n/a | n/a | n/a | 8.2 | 30 |
Emory University School of Medicine | Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini... | J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid-binding protein 5 (FABP5)(NLSm) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.37E+3 | -6.97 | n/a | n/a | n/a | n/a | n/a | 8.2 | 30 |
Emory University School of Medicine | Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini... | J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| TBXA2R (MOUSE) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh Curated by PDSP Ki Database | Br J Pharmacol 79: 953-64 (1983) Article DOI: 10.1111/j.1476-5381.1983.tb10541.x BindingDB Entry DOI: 10.7270/Q2SX6BPF | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytosolic phospholipase A2 gamma (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit human Cytosolic phospholipase A2 | Bioorg Med Chem Lett 11: 587-90 (2001) Article DOI: 10.1016/s0960-894x(01)00003-8 BindingDB Entry DOI: 10.7270/Q2ST7P4R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aromatase (CYP19) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of aromatase in human placental microsomes by radiometric method | J Nat Prod 69: 700-3 (2006) Article DOI: 10.1021/np050513p BindingDB Entry DOI: 10.7270/Q2J96647 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcium channel (RAT) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Curated by ChEMBL | Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcium channel (RAT) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Curated by ChEMBL | Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
University of Parma Curated by ChEMBL | Assay Description Binding affinity against Adipocyte lipid binding protein | J Med Chem 45: 2469-83 (2002) Article DOI: 10.1021/jm0200299 BindingDB Entry DOI: 10.7270/Q28916J7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty-acid amide hydrolase 1 (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibition of FAAH | J Med Chem 51: 7327-43 (2009) Article DOI: 10.1021/jm800311k BindingDB Entry DOI: 10.7270/Q2J67HT8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor VII/tissue factor (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Discovery Research Curated by ChEMBL | Assay Description Inhibition of amidolytic activity of human tissue factor/human factor 7a | J Nat Prod 61: 1352-5 (1999) Article DOI: 10.1021/np980117p BindingDB Entry DOI: 10.7270/Q2SF2VXF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Trypsin (Sus scrofa) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Discovery Research Curated by ChEMBL | Assay Description Inhibition of pig pancreatic trypsin after 15 mins | J Nat Prod 61: 1352-5 (1999) Article DOI: 10.1021/np980117p BindingDB Entry DOI: 10.7270/Q2SF2VXF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 603 | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| FABP5-ANS (Mus musculus (Mouse)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 42.1 | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University School of Medicine | Assay Description The method entails two steps [Lin et al., Biochemistry, 38:185-190]. In the first step, the Kd for association of FABP5 with the fluorescent lipid pr... | J Biol Chem 289: 12748-58 (2014) Article DOI: 10.1074/jbc.M114.559062 BindingDB Entry DOI: 10.7270/Q2P26X0Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC Curated by ChEMBL | Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay | Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclooxygenase (Homo sapiens (Human)) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 8.07E+3 | n/a | n/a | n/a | n/a | n/a |
Panjab University | Assay Description Inhibitory activity of the synthesized compounds on COX-1 and COX-2 enzymes were evaluated at 40 μm using the COX Inhibitor Screening Assay Kit ... | Bioorg Chem 71: 201-210 (2017) Article DOI: 10.1016/j.bioorg.2017.02.006 BindingDB Entry DOI: 10.7270/Q25T3JBP | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Mannoprotein ligand-binding domain 2 (Mp1p-LBD2) (Talaromyces marneffei) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | GoogleScholar PDB | CHEBI KEGG MMDB PC cid PC sid PDB | -11.2 | 3.33 | -14.2 | 7.89 | 8 | 37 | |
The University of Hong Kong | Cell Chem Biol 24: 182-194 (2017) | |||||||||
| Mannoprotein ligand-binding domain 2 (Mp1p-LBD2) (Talaromyces marneffei) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | GoogleScholar PDB | CHEBI KEGG MMDB PC cid PC sid PDB | -12.3 | 2.30 | -11.0 | 8.64 | 8 | 37 | |
The University of Hong Kong | Cell Chem Biol 24: 182-194 (2017) | |||||||||
| Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 I332A) (Talaromyces marneffei) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | GoogleScholar PDB | CHEBI KEGG MMDB PC cid PC sid PDB | -8.18 | 6.44 | -14.5 | 5.77 | 8 | 37 | |
The University of Hong Kong | Cell Chem Biol 24: 182-194 (2017) | |||||||||
| Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 V309D) (Talaromyces marneffei) | BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) | GoogleScholar PDB | CHEBI KEGG MMDB PC cid PC sid PDB | -7.69 | 1.93 | -9.31 | 5.42 | 8 | 37 | |
The University of Hong Kong | Cell Chem Biol 24: 182-194 (2017) | |||||||||
