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BDBM50232929 CHEMBL4085733

SMILES: C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1

InChI Key:

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 = 50232929   
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))
BDBM50232929
PNG
(CHEMBL4085733)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL




Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50232929
PNG
(CHEMBL4085733)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL




Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair