Found 7 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)) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 630 | 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 | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 690 | 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) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 690 | 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 | |
Tegument protein VP16
(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 2.31E+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 (2012)
BindingDB Entry DOI: 10.7270/Q2D21W6V |
More data for this
Ligand-Target Pair | |
Nuclear receptor coactivator 3
(Homo sapiens (Human)) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | >3.59E+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 (2012)
BindingDB Entry DOI: 10.7270/Q2HT2MXV |
More data for this
Ligand-Target Pair | |
Nuclear receptor coactivator 1
(Homo sapiens (Human)) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | >3.59E+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 (2012)
BindingDB Entry DOI: 10.7270/Q28914F2 |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Mus musculus) | BDBM62681
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2MW2FKX |
More data for this
Ligand-Target Pair | |