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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50243593   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
Show SMILES CC(C)CCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H32Cl2N4O4S/c1-18(2)13-16-38(35,36)37-22-10-8-21(9-11-22)33-19(3)25(27(34)31-32-14-5-4-6-15-32)30-26(33)23-12-7-20(28)17-24(23)29/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,31,34)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GBR-12935 binding to the dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
Show SMILES CC(C)CCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H32Cl2N4O4S/c1-18(2)13-16-38(35,36)37-22-10-8-21(9-11-22)33-19(3)25(27(34)31-32-14-5-4-6-15-32)30-26(33)23-12-7-20(28)17-24(23)29/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS bin...


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7
More data for this
Ligand-Target Pair