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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50253556'   
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))
BDBM50253556
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3-(isopropylamino)pro...)
Show SMILES CC(C)NCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H29Cl2N5OS/c1-17(2)29-13-7-8-20-10-12-23(35-20)25-18(3)24(26(34)31-32-14-5-4-6-15-32)30-33(25)22-11-9-19(27)16-21(22)28/h9-12,16-17,29H,4-6,13-15H2,1-3H3,(H,31,34)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82.4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253556
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3-(isopropylamino)pro...)
Show SMILES CC(C)NCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H29Cl2N5OS/c1-17(2)29-13-7-8-20-10-12-23(35-20)25-18(3)24(26(34)31-32-14-5-4-6-15-32)30-33(25)22-11-9-19(27)16-21(22)28/h9-12,16-17,29H,4-6,13-15H2,1-3H3,(H,31,34)
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 390n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair