BindingDB logo
myBDB logout

null

SMILES: FC(F)(F)c1cc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(cn2)C(F)(F)F)no1

InChI Key: InChIKey=IVUOJBCRJUWXKJ-UHFFFAOYSA-N

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 = 50063929   
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))
BDBM50063929
PNG
(CHEMBL3400948)
Show SMILES FC(F)(F)c1cc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C17H15F6N5O3/c18-16(19,20)10-2-3-11(24-9-10)14(29)27-4-1-5-28(7-6-27)15(30)25-13-8-12(31-26-13)17(21,22)23/h2-3,8-9H,1,4-7H2,(H,25,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 253n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063929
PNG
(CHEMBL3400948)
Show SMILES FC(F)(F)c1cc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C17H15F6N5O3/c18-16(19,20)10-2-3-11(24-9-10)14(29)27-4-1-5-28(7-6-27)15(30)25-13-8-12(31-26-13)17(21,22)23/h2-3,8-9H,1,4-7H2,(H,25,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair