BindingDB logo
myBDB logout

BDBM50347374 CHEMBL1801342

SMILES: C[C@@H](NC(=O)C1(CC1)NC(=O)c1cccnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12

InChI Key: InChIKey=STGQBKUWPRZLAI-OAHLLOKOSA-N

Data: 1 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 1 hit for monomerid = 50347374   
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))
BDBM50347374
PNG
(CHEMBL1801342)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cccnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClFN5O2/c1-15(29-24(34)25(10-11-25)30-23(33)16-5-4-12-28-14-16)18-9-8-17(13-20(18)27)32-21-7-3-2-6-19(21)22(26)31-32/h2-9,12-15H,10-11H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair