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BDBM50418212 CHEMBL1760663

SMILES: CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N

InChI Key: InChIKey=ICVQKTUVHNJULJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50418212   
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))
BDBM50418212
PNG
(CHEMBL1760663)
Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.01n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50418212
PNG
(CHEMBL1760663)
Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)

More data for this
Ligand-Target Pair