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) | BDBM68015
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)Show SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.36E+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) | BDBM68015
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)Show SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.36E+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 | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM68015
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)Show SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 6.09E+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/Q2KS6Q2P |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM68015
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)Show SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22) | 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 | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM68015
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)Show SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.09E+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/Q2G15ZB8 |
More data for this
Ligand-Target Pair | |