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BDBM50432718 CHEMBL2348471

SMILES: CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=OHLPUHVXEGUPBR-BYOOMSNPSA-N

Data: 3 KI

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 3 hits for monomerid = 50432718   
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


(Rattus norvegicus (rat))
BDBM50432718
PNG
(CHEMBL2348471)
Show SMILES CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:8,THB:30:29:26:32.31.33,30:31:28.29.34:26,33:31:28:34.25.26,33:25:28:32.30.31|
Show InChI InChI=1S/C31H42O4/c1-29(2,3)28(33)34-17-18-6-7-24-23(11-18)27-25(32)12-22(13-26(27)35-30(24,4)5)31-14-19-8-20(15-31)10-21(9-19)16-31/h6,12-13,19-21,23-24,32H,7-11,14-17H2,1-5H3/t19?,20?,21?,23-,24-,31?/m1/s1
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17n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat CB1 receptor expressed in rat brain membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432718
PNG
(CHEMBL2348471)
Show SMILES CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:8,THB:30:29:26:32.31.33,30:31:28.29.34:26,33:31:28:34.25.26,33:25:28:32.30.31|
Show InChI InChI=1S/C31H42O4/c1-29(2,3)28(33)34-17-18-6-7-24-23(11-18)27-25(32)12-22(13-26(27)35-30(24,4)5)31-14-19-8-20(15-31)10-21(9-19)16-31/h6,12-13,19-21,23-24,32H,7-11,14-17H2,1-5H3/t19?,20?,21?,23-,24-,31?/m1/s1
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UniChem
Article
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49n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cell membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50432718
PNG
(CHEMBL2348471)
Show SMILES CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:8,THB:30:29:26:32.31.33,30:31:28.29.34:26,33:31:28:34.25.26,33:25:28:32.30.31|
Show InChI InChI=1S/C31H42O4/c1-29(2,3)28(33)34-17-18-6-7-24-23(11-18)27-25(32)12-22(13-26(27)35-30(24,4)5)31-14-19-8-20(15-31)10-21(9-19)16-31/h6,12-13,19-21,23-24,32H,7-11,14-17H2,1-5H3/t19?,20?,21?,23-,24-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair