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BDBM50432724 CHEMBL2348465

SMILES: CO\C=C/[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=BDARCOUKTBOYTA-XQJOSDQISA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50432724   
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))
BDBM50432724
PNG
(CHEMBL2348465)
Show SMILES CO\C=C/[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
Show InChI InChI=1S/C28H38O3/c1-27(2)23-5-4-17(6-7-30-3)11-22(23)26-24(29)12-21(13-25(26)31-27)28-14-18-8-19(15-28)10-20(9-18)16-28/h6-7,12-13,17-20,22-23,29H,4-5,8-11,14-16H2,1-3H3/b7-6-/t17-,18?,19?,20?,22+,23+,28?/m0/s1
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Article
PubMed
31n/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))
BDBM50432724
PNG
(CHEMBL2348465)
Show SMILES CO\C=C/[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
Show InChI InChI=1S/C28H38O3/c1-27(2)23-5-4-17(6-7-30-3)11-22(23)26-24(29)12-21(13-25(26)31-27)28-14-18-8-19(15-28)10-20(9-18)16-28/h6-7,12-13,17-20,22-23,29H,4-5,8-11,14-16H2,1-3H3/b7-6-/t17-,18?,19?,20?,22+,23+,28?/m0/s1
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Article
PubMed
67n/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)
BDBM50432724
PNG
(CHEMBL2348465)
Show SMILES CO\C=C/[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
Show InChI InChI=1S/C28H38O3/c1-27(2)23-5-4-17(6-7-30-3)11-22(23)26-24(29)12-21(13-25(26)31-27)28-14-18-8-19(15-28)10-20(9-18)16-28/h6-7,12-13,17-20,22-23,29H,4-5,8-11,14-16H2,1-3H3/b7-6-/t17-,18?,19?,20?,22+,23+,28?/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/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