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SMILES: CCCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12

InChI Key: InChIKey=XCLPUCIBZGBWJW-HNNXBMFYSA-N

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 = 50515385   
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


(Homo sapiens (Human))
BDBM50515385
PNG
(CHEMBL4472094)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-10-22-11-14(13-8-7-9-20-17(13)22)18(24)21-15(12(2)3)16(19)23/h7-9,11-12,15H,4-6,10H2,1-3H3,(H2,19,23)(H,21,24)/t15-/m0/s1
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n/an/an/an/a 121n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay


Eur J Med Chem 180: 291-309 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.036
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50515385
PNG
(CHEMBL4472094)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-10-22-11-14(13-8-7-9-20-17(13)22)18(24)21-15(12(2)3)16(19)23/h7-9,11-12,15H,4-6,10H2,1-3H3,(H2,19,23)(H,21,24)/t15-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay


Eur J Med Chem 180: 291-309 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.036
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50515385
PNG
(CHEMBL4472094)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-10-22-11-14(13-8-7-9-20-17(13)22)18(24)21-15(12(2)3)16(19)23/h7-9,11-12,15H,4-6,10H2,1-3H3,(H2,19,23)(H,21,24)/t15-/m0/s1
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n/an/an/an/a 58n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay


Eur J Med Chem 180: 291-309 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.036
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50515385
PNG
(CHEMBL4472094)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-10-22-11-14(13-8-7-9-20-17(13)22)18(24)21-15(12(2)3)16(19)23/h7-9,11-12,15H,4-6,10H2,1-3H3,(H2,19,23)(H,21,24)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 59n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay


Eur J Med Chem 180: 291-309 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.036
More data for this
Ligand-Target Pair