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9 similar compounds to monomer 20462

Compile data set for download or QSAR
Wt: 465.6
BDBM50096881
Wt: 413.5
BDBM50096882
Wt: 437.6
BDBM50096883
Wt: 413.5
BDBM50096884
Wt: 411.5
BDBM50096885
Wt: 437.6
BDBM50175105
Wt: 417.6
BDBM50215899
Purchase
Wt: 433.6
BDBM50215900
Wt: 437.6
BDBM50414268

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50096881,50096882,50096883,50096884,50096885,50175105,50215899,50215900,50414268   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096883
PNG
((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h3-4,6-7,9-10,12-13,15-16,20-21,24,30-31H,2,5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-,13-12-,16-15-
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620n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00689-2
BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096881
PNG
((10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C30H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,22-23,26,32-33H,2,5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-
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1.37E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00689-2
BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
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1.70E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096882
PNG
((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...)
Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-
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1.72E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00689-2
BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50175105
PNG
((5Z,8Z,11Z,14Z)-N-(4-methoxyphenethyl)icosa-5,8,11...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(31)30-26-25-27-21-23-28(32-2)24-22-27/h7-8,10-11,13-14,16-17,21-24H,3-6,9,12,15,18-20,25-26H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
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2.40E+3n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096885
PNG
((6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,12-13,18-19,22,28-29H,2,5,8,11,14-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-,13-12-
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2.43E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00689-2
BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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3.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096884
PNG
((9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid [2-(3,...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
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3.13E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00689-2
BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50175105
PNG
((5Z,8Z,11Z,14Z)-N-(4-methoxyphenethyl)icosa-5,8,11...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(31)30-26-25-27-21-23-28(32-2)24-22-27/h7-8,10-11,13-14,16-17,21-24H,3-6,9,12,15,18-20,25-26H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50414268
PNG
(CHEMBL550631)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1cccc(OC)c1
Show InChI InChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29(31)30-25-24-27-21-20-22-28(26-27)32-2/h7-8,10-11,13-14,16-17,20-22,26H,3-6,9,12,15,18-19,23-25H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
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n/an/a 4.47E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH-mediated hydrolysis of [3H]AEA


J Med Chem 52: 4613-22 (2009)


Article DOI: 10.1021/jm900324e
BindingDB Entry DOI: 10.7270/Q25X2B5M
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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n/an/an/an/a 8.06E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50096882
PNG
((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...)
Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
BindingDB Entry DOI: 10.7270/Q2J96753
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50175105
PNG
((5Z,8Z,11Z,14Z)-N-(4-methoxyphenethyl)icosa-5,8,11...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C29H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(31)30-26-25-27-21-23-28(32-2)24-22-27/h7-8,10-11,13-14,16-17,21-24H,3-6,9,12,15,18-20,25-26H2,1-2H3,(H,30,31)/b8-7-,11-10-,14-13-,17-16-
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n/an/a 2.75E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH-mediated hydrolysis of [3H]AEA


J Med Chem 52: 4613-22 (2009)


Article DOI: 10.1021/jm900324e
BindingDB Entry DOI: 10.7270/Q25X2B5M
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair