new BindingDB logo
myBDB logout

BDBM50392566 CHEMBL2152818

SMILES: CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O

InChI Key: InChIKey=MOUPSUCXVQAACD-HZFOSRTRSA-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 = 50392566   
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))
BDBM50392566
PNG
(CHEMBL2152818)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392566
PNG
(CHEMBL2152818)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair