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BDBM50389943 CHEMBL2071067

SMILES: CC(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1

InChI Key: InChIKey=ZNDWAMNMKWTCSD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50389943   
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))
BDBM50389943
PNG
(CHEMBL2071067)
Show SMILES CC(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H26ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15,27H,2-4,11-14H2,1H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50389943
PNG
(CHEMBL2071067)
Show SMILES CC(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H26ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15,27H,2-4,11-14H2,1H3,(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/a>1.00E+4n/an/an/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 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