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BDBM50306520 CHEMBL602049::N-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)isonicotinamide

SMILES: CCCCCc1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=MLDUENUKSLQMMZ-FGZHOGPDSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306520   
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))
BDBM50306520
PNG
(CHEMBL602049 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:20|
Show InChI InChI=1S/C27H34N2O2/c1-5-6-7-8-19-16-23(29-26(30)20-11-13-28-14-12-20)25-21-15-18(2)9-10-22(21)27(3,4)31-24(25)17-19/h11-17,21-22H,5-10H2,1-4H3,(H,29,30)/t21-,22-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.77E+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))
BDBM50306520
PNG
(CHEMBL602049 | N-((6aR,10aR)-6,6,9-trimethyl-3-pen...)
Show SMILES CCCCCc1cc(NC(=O)c2ccncc2)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:20|
Show InChI InChI=1S/C27H34N2O2/c1-5-6-7-8-19-16-23(29-26(30)20-11-13-28-14-12-20)25-21-15-18(2)9-10-22(21)27(3,4)31-24(25)17-19/h11-17,21-22H,5-10H2,1-4H3,(H,29,30)/t21-,22-/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