BindingDB logo
myBDB logout

BDBM50152107 CHEMBL3780368

SMILES: CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2

InChI Key: InChIKey=BTFYPKAHJNXBRG-UHFFFAOYSA-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 = 50152107   
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))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2 |THB:7:6:1:4|
Show InChI InChI=1S/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2 |THB:7:6:1:4|
Show InChI InChI=1S/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair