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BDBM50090946 CHEMBL3582010

SMILES: CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF

InChI Key: InChIKey=RUDATBOHQWOJDD-GXLBFMQUSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50090946   
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


(MOUSE)
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
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Article
PubMed
421n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
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Article
PubMed
902n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090946
PNG
(CHEMBL3582010)
Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1
PDB

Reactome pathway
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PC cid
PC sid
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Patents


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Article
PubMed
n/an/an/an/a 281n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair