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BDBM79210 (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane;2-hydroxypropane-1,2,3-tricarboxylic acid::(1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane;2-oxidanylpropane-1,2,3-tricarboxylic acid::Deptropine citrate::MLS002154101::SMR001233409::cid_6604492::citric acid;(1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e]cyclohepten-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane

SMILES: CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12

InChI Key: InChIKey=ZWPODSUQWXAZNC-YOFSQIOKSA-N

Data: 4 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 4 hits for monomerid = 79210   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79210
PNG
((1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][...)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
PDB
MMDB

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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM79210
PNG
((1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][...)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
KEGG

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n/an/a 2.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM79210
PNG
((1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][...)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
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n/an/a 1.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM79210
PNG
((1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][...)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
PDB
MMDB

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n/an/a 1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair