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BDBM50380889 CHEMBL2019086

SMILES: OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O

InChI Key: InChIKey=SDMQRKFIXCWCQU-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50380889   
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))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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PubMed
16n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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16n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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16n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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266n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
PDB

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Article
PubMed
n/an/a 514n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
PDB

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair