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BDBM50389924 CHEMBL2071059

SMILES: CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCN(C)CC1

InChI Key: InChIKey=BOWIAGINVFDHHU-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 = 50389924   
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 2


(Homo sapiens (Human))
BDBM50389924
PNG
(CHEMBL2071059)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29ClN4O/c1-3-20-21-16-18(25)6-9-22(21)27-23(20)24(30)26-11-10-17-4-7-19(8-5-17)29-14-12-28(2)13-15-29/h4-9,16,27H,3,10-15H2,1-2H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.97E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389924
PNG
(CHEMBL2071059)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29ClN4O/c1-3-20-21-16-18(25)6-9-22(21)27-23(20)24(30)26-11-10-17-4-7-19(8-5-17)29-14-12-28(2)13-15-29/h4-9,16,27H,3,10-15H2,1-2H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair