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BDBM50360022 CHEMBL1928336

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O

InChI Key: InChIKey=HJUXEQPTXUOUOQ-SNPVRQPZSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50360022   
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 2


(Homo sapiens (Human))
BDBM50360022
PNG
(CHEMBL1928336)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C32H45N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(36)33(3)31-28(2)34(4)35(32(31)37)29-25-22-21-23-26-29/h9-10,12-13,15-16,18-19,21-23,25-26H,5-8,11,14,17,20,24,27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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3.00E+3n/an/an/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


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


Bioorg Med Chem 20: 101-7 (2011)


Article DOI: 10.1016/j.bmc.2011.11.028
BindingDB Entry DOI: 10.7270/Q28S4QBQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50360022
PNG
(CHEMBL1928336)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C32H45N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(36)33(3)31-28(2)34(4)35(32(31)37)29-25-22-21-23-26-29/h9-10,12-13,15-16,18-19,21-23,25-26H,5-8,11,14,17,20,24,27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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7.80E+3n/an/an/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


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


Bioorg Med Chem 20: 101-7 (2011)


Article DOI: 10.1016/j.bmc.2011.11.028
BindingDB Entry DOI: 10.7270/Q28S4QBQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50360022
PNG
(CHEMBL1928336)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C32H45N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(36)33(3)31-28(2)34(4)35(32(31)37)29-25-22-21-23-26-29/h9-10,12-13,15-16,18-19,21-23,25-26H,5-8,11,14,17,20,24,27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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n/an/a 4.20E+4n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in C57BL/6 mouse brain homogenate


Bioorg Med Chem 20: 101-7 (2011)


Article DOI: 10.1016/j.bmc.2011.11.028
BindingDB Entry DOI: 10.7270/Q28S4QBQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50360022
PNG
(CHEMBL1928336)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C32H45N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(36)33(3)31-28(2)34(4)35(32(31)37)29-25-22-21-23-26-29/h9-10,12-13,15-16,18-19,21-23,25-26H,5-8,11,14,17,20,24,27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of TRPV1


Bioorg Med Chem 20: 101-7 (2011)


Article DOI: 10.1016/j.bmc.2011.11.028
BindingDB Entry DOI: 10.7270/Q28S4QBQ
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50360022
PNG
(CHEMBL1928336)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C32H45N3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(36)33(3)31-28(2)34(4)35(32(31)37)29-25-22-21-23-26-29/h9-10,12-13,15-16,18-19,21-23,25-26H,5-8,11,14,17,20,24,27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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Article
PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in C57BL/6 mouse brain homogenate


Bioorg Med Chem 20: 101-7 (2011)


Article DOI: 10.1016/j.bmc.2011.11.028
BindingDB Entry DOI: 10.7270/Q28S4QBQ
More data for this
Ligand-Target Pair