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BDBM50023633 CHEMBL3341880

SMILES: O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1

InChI Key: InChIKey=HWIMBWAXFAEZQR-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50023633   
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))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 55n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair