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BDBM50144609 CHEMBL3759222

SMILES: CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=UHPNIGPNFQMNSV-UHFFFAOYSA-N

Data: 2 KI  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 = 50144609   
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))
BDBM50144609
PNG
(CHEMBL3759222)
Show SMILES CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O3/c1-3-14-36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(2)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,34)
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CHEMBL
PC cid
PC sid
UniChem
PubMed
8.80n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50144609
PNG
(CHEMBL3759222)
Show SMILES CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O3/c1-3-14-36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(2)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,34)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.55E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144609
PNG
(CHEMBL3759222)
Show SMILES CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O3/c1-3-14-36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(2)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,34)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 20n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in intracellular calcium mobilization after 90 secs by Cal...


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair