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BDBM50306540 (6aR,10aR)-N-(2-amino-2-oxoethyl)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1-carboxamide::CHEMBL599771

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

InChI Key: InChIKey=GCUHDOKPPLNQHJ-IEBWSBKVSA-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 = 50306540   
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))
BDBM50306540
PNG
((6aR,10aR)-N-(2-amino-2-oxoethyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NCC(N)=O |r,c:16|
Show InChI InChI=1S/C24H34N2O3/c1-5-6-7-8-16-12-18(23(28)26-14-21(25)27)22-17-11-15(2)9-10-19(17)24(3,4)29-20(22)13-16/h11-13,17,19H,5-10,14H2,1-4H3,(H2,25,27)(H,26,28)/t17-,19-/m1/s1
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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))
BDBM50306540
PNG
((6aR,10aR)-N-(2-amino-2-oxoethyl)-6,6,9-trimethyl-...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)C(=O)NCC(N)=O |r,c:16|
Show InChI InChI=1S/C24H34N2O3/c1-5-6-7-8-16-12-18(23(28)26-14-21(25)27)22-17-11-15(2)9-10-19(17)24(3,4)29-20(22)13-16/h11-13,17,19H,5-10,14H2,1-4H3,(H2,25,27)(H,26,28)/t17-,19-/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