Found 6 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) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.00E+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) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.00E+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)) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
Nuclear receptor coactivator 3
(Homo sapiens (Human)) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 2.48E+4 | 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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2707ZV7 |
More data for this
Ligand-Target Pair | |
Nuclear receptor coactivator 1
(Homo sapiens (Human)) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | 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 | n/a | n/a | 1.38E+4 | 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 (2008)
BindingDB Entry DOI: 10.7270/Q2FT8JGV |
More data for this
Ligand-Target Pair | |
Nuclear receptor coactivator 2
(Homo sapiens (Human)) | BDBM43028
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 9.89E+3 | 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 (2008)
BindingDB Entry DOI: 10.7270/Q2QZ28CS |
More data for this
Ligand-Target Pair | |