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BDBM54816 4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide::4-methyl-N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide::MLS000709692::SMR000286559::cid_3218139

SMILES: [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccc(C)cc1

InChI Key: InChIKey=QJBJGFACSBPWFU-UHFFFAOYSA-N

Data: 6 IC50  3 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 9 hits for monomerid = 54816   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a 824n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a 2.62E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a>3.20E+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/Q2G44NRK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a 3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25T3HZB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a 3.28E+3n/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)


Article DOI: 10.1016/j.chembiol.2013.07.014
BindingDB Entry DOI: 10.7270/Q2H70D7S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/a 3.20E+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/Q28K77JP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/an/an/a>3.20E+4n/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/Q2125R3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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n/an/an/an/a>3.20E+4n/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)


Article DOI: 10.1021/cb500177c
BindingDB Entry DOI: 10.7270/Q2NS0SBF
More data for this
Ligand-Target Pair