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BDBM50432730 CHEMBL2348459

SMILES: CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](CC[C@@H]12)C=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=PFXQODKAWDAKED-MMSALSPUSA-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 = 50432730   
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))
BDBM50432730
PNG
(CHEMBL2348459)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](CC[C@@H]12)C=O)C12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H34O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h9-10,14-18,20-21,28H,3-8,11-13H2,1-2H3/t15-,16?,17?,18?,20-,21-,26?/m1/s1
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PC sid
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5.5n/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)
BDBM50432730
PNG
(CHEMBL2348459)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](CC[C@@H]12)C=O)C12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H34O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h9-10,14-18,20-21,28H,3-8,11-13H2,1-2H3/t15-,16?,17?,18?,20-,21-,26?/m1/s1
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PC sid
UniChem
Article
PubMed
26n/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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50432730
PNG
(CHEMBL2348459)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](CC[C@@H]12)C=O)C12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C26H34O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h9-10,14-18,20-21,28H,3-8,11-13H2,1-2H3/t15-,16?,17?,18?,20-,21-,26?/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
53n/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