BindingDB logo
myBDB logout

BDBM50152110 CHEMBL3780457

SMILES: Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1

InChI Key: InChIKey=YKEYPBUZXWNTJV-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 = 50152110   
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))
BDBM50152110
PNG
(CHEMBL3780457)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O/c25-17-6-8-21(20(26)13-17)30-23-18-7-5-15(14-3-4-14)11-16(18)12-19(23)22(27-30)24(31)28-29-9-1-2-10-29/h5-8,11,13-14H,1-4,9-10,12H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
152n/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))
BDBM50152110
PNG
(CHEMBL3780457)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O/c25-17-6-8-21(20(26)13-17)30-23-18-7-5-15(14-3-4-14)11-16(18)12-19(23)22(27-30)24(31)28-29-9-1-2-10-29/h5-8,11,13-14H,1-4,9-10,12H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.21E+3n/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