Found 5 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 |
|---|
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM68132
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM68132
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 8.69E+3 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2WW7G4W |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM68132
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+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
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM68132
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+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
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM68132
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-metho...)Show SMILES COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1 Show InChI InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 6.31E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2S75DTS |
More data for this
Ligand-Target Pair | |