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BDBM64854 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one::MLS000709121::SMR000282988::cid_3127917

SMILES: O=C1Nc2ccccc2N2CCCC12

InChI Key: InChIKey=GWPNDQCLPKQEPD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 64854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BZLF1


(Human herpesvirus 4)
BDBM64854
PNG
(2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-...)
Show SMILES O=C1Nc2ccccc2N2CCCC12
Show InChI InChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.48E+3n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64854
PNG
(2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-...)
Show SMILES O=C1Nc2ccccc2N2CCCC12
Show InChI InChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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/Q2QN656Q
More data for this
Ligand-Target Pair