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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 59569   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM59569
PNG
(2-[3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(3-nitroph...)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O8S/c1-3-32-21(29)19-11(2)23-22(34-19)24-16(12-6-4-7-13(10-12)25(30)31)15(18(27)20(24)28)17(26)14-8-5-9-33-14/h4-10,15-16H,3H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+4n/an/an/an/an/an/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59569
PNG
(2-[3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(3-nitroph...)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O8S/c1-3-32-21(29)19-11(2)23-22(34-19)24-16(12-6-4-7-13(10-12)25(30)31)15(18(27)20(24)28)17(26)14-8-5-9-33-14/h4-10,15-16H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Trans-activator protein BZLF1


(Human herpesvirus 4)
BDBM59569
PNG
(2-[3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(3-nitroph...)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O8S/c1-3-32-21(29)19-11(2)23-22(34-19)24-16(12-6-4-7-13(10-12)25(30)31)15(18(27)20(24)28)17(26)14-8-5-9-33-14/h4-10,15-16H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair