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BDBM50306541 (6aR,10aR)-N-(1,3-dihydroxypropan-2-yl)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1-carboxamide::CHEMBL599772

SMILES: CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC(CO)CO

InChI Key: InChIKey=UKUPLUXNDHTNBT-TZIWHRDSSA-N

Data: 2 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 2 hits for monomerid = 50306541   
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))
BDBM50306541
PNG
((6aR,10aR)-N-(1,3-dihydroxypropan-2-yl)-6,6,9-trim...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC(CO)CO |r,c:16|
Show InChI InChI=1S/C25H37NO4/c1-5-6-7-8-17-12-20(24(29)26-18(14-27)15-28)23-19-11-16(2)9-10-21(19)25(3,4)30-22(23)13-17/h11-13,18-19,21,27-28H,5-10,14-15H2,1-4H3,(H,26,29)/t19-,21-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306541
PNG
((6aR,10aR)-N-(1,3-dihydroxypropan-2-yl)-6,6,9-trim...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NC(CO)CO |r,c:16|
Show InChI InChI=1S/C25H37NO4/c1-5-6-7-8-17-12-20(24(29)26-18(14-27)15-28)23-19-11-16(2)9-10-21(19)25(3,4)30-22(23)13-17/h11-13,18-19,21,27-28H,5-10,14-15H2,1-4H3,(H,26,29)/t19-,21-/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair