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BDBM83397 2-(2,4-dimethoxy-3-methyl-benzyl)-1,3,4,9-tetrahydro-beta-carboline::2-(2,4-dimethoxy-3-methylbenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline::2-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole::2-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole::MLS001000473::SMR000496078::cid_785909

SMILES: COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C

InChI Key: InChIKey=WNPVLKRCYNABSL-UHFFFAOYSA-N

Data: 2 EC50

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 = 83397   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM83397
PNG
(2-(2,4-dimethoxy-3-methyl-benzyl)-1,3,4,9-tetrahyd...)
Show SMILES COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
Show InChI InChI=1S/C21H24N2O2/c1-14-20(24-2)9-8-15(21(14)25-3)12-23-11-10-17-16-6-4-5-7-18(16)22-19(17)13-23/h4-9,22H,10-13H2,1-3H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.40E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM83397
PNG
(2-(2,4-dimethoxy-3-methyl-benzyl)-1,3,4,9-tetrahyd...)
Show SMILES COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
Show InChI InChI=1S/C21H24N2O2/c1-14-20(24-2)9-8-15(21(14)25-3)12-23-11-10-17-16-6-4-5-7-18(16)22-19(17)13-23/h4-9,22H,10-13H2,1-3H3
PDB

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 7.43E+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)


Article DOI: 10.1021/acs.biochem.5b00135
More data for this
Ligand-Target Pair