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BDBM50306546 1-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)urea::CHEMBL601505

SMILES: CCCCCc1cc(NC(N)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=NSXPHGOSDJTOEQ-IAGOWNOFSA-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 = 50306546   
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


(Homo sapiens (Human))
BDBM50306546
PNG
(1-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-...)
Show SMILES CCCCCc1cc(NC(N)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:14|
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-15-12-18(24-21(23)25)20-16-11-14(2)9-10-17(16)22(3,4)26-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3,(H3,23,24,25)/t16-,17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306546
PNG
(1-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-...)
Show SMILES CCCCCc1cc(NC(N)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:14|
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-15-12-18(24-21(23)25)20-16-11-14(2)9-10-17(16)22(3,4)26-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3,(H3,23,24,25)/t16-,17-/m1/s1
PDB

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 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