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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM83289'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM83289
PNG
(2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C21H20N4O5/c1-4-29-20(27)17-11(2)18(23-12(17)3)21(28)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,13,23H,4,10H2,1-3H3,(H,24,25)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.25E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM83289
PNG
(2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C21H20N4O5/c1-4-29-20(27)17-11(2)18(23-12(17)3)21(28)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,13,23H,4,10H2,1-3H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.25E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair