Marvin 2D Structure

Wt: 304.4 BDBM22319Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 34 hits in this display   

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
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.59E+3	-32.4	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 [M35A,L60A] (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.01E+3	-30.8	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 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.37E+3	-29.2	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
Thromboxane A2 receptor (MOUSE)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PPAR-alpha (unknown origin) by SPA assay				Citation and Details Article DOI: 10.1007/s00044-008-9102-7 BindingDB Entry DOI: 10.7270/Q2K35XJ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114604 BindingDB Entry DOI: 10.7270/Q2J38XJ0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 BindingDB Entry DOI: 10.7270/Q2NZ8C33
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Co-chaperonin GroES (Escherichia coli)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 BindingDB Entry DOI: 10.7270/Q2NZ8C33
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Transient receptor potential cation channel subfamily V member 2 (Rattus norvegicus)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council (CNR) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...				J Med Chem 61: 8255-8281 (2018) Article DOI: 10.1021/acs.jmedchem.8b00734 BindingDB Entry DOI: 10.7270/Q2222XFP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2 (Rattus norvegicus)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council (CNR) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...				J Med Chem 61: 8255-8281 (2018) Article DOI: 10.1021/acs.jmedchem.8b00734 BindingDB Entry DOI: 10.7270/Q2222XFP
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 BindingDB Entry DOI: 10.7270/Q2NZ8C33
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Aromatase (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
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Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
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Cytosolic phospholipase A2 gamma (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q2ST7P4R
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Thiosulfate sulfurtransferase (Homo sapiens)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 BindingDB Entry DOI: 10.7270/Q2NZ8C33
					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
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Trypsin (Sus scrofa)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Chaperonin GroEL (Escherichia coli)	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 BindingDB Entry DOI: 10.7270/Q2NZ8C33
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
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Nuclear receptor subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00585 BindingDB Entry DOI: 10.7270/Q24T6PD2
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Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5-ANS (Mus musculus (Mouse))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
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Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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)

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this search

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/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		-51.3	9.61	-46.1	8.64	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		-46.8	14.0	-59.5	7.89	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		-34.3	27.0	-60.7	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		-32.2	8.06	-39	5.42	8	37
The University of Hong Kong					Cell Chem Biol 24: 182-194 (2017)