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BDBM50303551 3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)oxazolidin-2-one::CHEMBL584742

SMILES: CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C

InChI Key: InChIKey=QFKHXFSKJAJGEQ-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50303551   
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))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
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PubMed
0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
PDB

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PubMed
350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
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PubMed
n/an/an/an/a 0.970n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
PDB

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PubMed
n/an/an/an/a 3.59E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.0700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP production by cell based assay


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50303551
PNG
(3-(2-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C
Show InChI InChI=1S/C21H26N2O3/c1-20(2)18(21(20,3)4)17(24)15-13-23(16-8-6-5-7-14(15)16)10-9-22-11-12-26-19(22)25/h5-8,13,18H,9-12H2,1-4H3
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)

More data for this
Ligand-Target Pair