BDBM31752 Icosa‐5,8,11,14‐tetraynoic acid (D3)::MLS-0002886.0001::cid_1780::eicosa-5,8,11,14-tetraynoic acid

SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(O)=O

InChI Key: InChIKey=MGLDCXPLYOWQRP-UHFFFAOYSA-N

Data: 17 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 31752   

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
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N87841
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
DePaul University					Assay Description All assays were performed at 100 µL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...				Chem Biol Drug Des 86: 1049-54 (2015) Article DOI: 10.1111/cbdd.12572 BindingDB Entry DOI: 10.7270/Q2XK8D9W
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	6.53E+3	n/a	n/a	n/a	n/a	7.0	22
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769WQ
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q20863PV
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2VH5M71
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2QR4VH9
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D6B
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q25H7DPX
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2M043S8
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G73C2Z
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W66J6B
					More data for this Ligand-Target Pair
core protein (Hepatitis C virus)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29Z939R
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM31752 (Icosa‐5,8,11,14‐tetraynoic acid (D3) |...) Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	794	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair