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BDBM50023669 CHEMBL3341894

SMILES: Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cn1

InChI Key: InChIKey=RLMOROYTWQUPHF-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50023669   
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))
BDBM50023669
PNG
(CHEMBL3341894)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cn1
Show InChI InChI=1S/C21H20ClN5O/c22-19-10-9-17(14-23-19)25-21(28)24-16-6-3-5-15(13-16)18-7-4-8-20(26-18)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12H2,(H2,24,25,28)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/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))
BDBM50023669
PNG
(CHEMBL3341894)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cn1
Show InChI InChI=1S/C21H20ClN5O/c22-19-10-9-17(14-23-19)25-21(28)24-16-6-3-5-15(13-16)18-7-4-8-20(26-18)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12H2,(H2,24,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 408n/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