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 |
|---|
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM39103
(4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O5S/c1-12-10-17(27-32-12)26-18(28)8-5-9-33(29,30)19-24-14(11-16(25-19)20(21,22)23)13-6-3-4-7-15(13)31-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,27,28) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.73E+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 (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM39103
(4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O5S/c1-12-10-17(27-32-12)26-18(28)8-5-9-33(29,30)19-24-14(11-16(25-19)20(21,22)23)13-6-3-4-7-15(13)31-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,27,28) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.73E+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/Q28C9TQN |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM39103
(4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O5S/c1-12-10-17(27-32-12)26-18(28)8-5-9-33(29,30)19-24-14(11-16(25-19)20(21,22)23)13-6-3-4-7-15(13)31-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.22E+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 | |
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)
(Homo sapiens (Human)) | BDBM39103
(4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O5S/c1-12-10-17(27-32-12)26-18(28)8-5-9-33(29,30)19-24-14(11-16(25-19)20(21,22)23)13-6-3-4-7-15(13)31-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.36E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2TH8K3N |
More data for this
Ligand-Target Pair | |
Steroidogenic factor 1
(Homo sapiens (Human)) | BDBM39103
(4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F Show InChI InChI=1S/C20H19F3N4O5S/c1-12-10-17(27-32-12)26-18(28)8-5-9-33(29,30)19-24-14(11-16(25-19)20(21,22)23)13-6-3-4-7-15(13)31-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.32E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2PR7TCX |
More data for this
Ligand-Target Pair | |