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 |
|---|
Glycoprotein 42
(Human herpesvirus 4 type 2) | BDBM51266
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 6.75E+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: Theodore Jardetzky; Northw... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DCW |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM51266
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.37E+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/Q2G15ZB8 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM51266
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.74E+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/Q2KS6Q2P |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM51266
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | 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/Q24M9315 |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM51266
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | 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/Q20V8B80 |
More data for this
Ligand-Target Pair | |