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BDBM50383386 CHEMBL2029362

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=VEYCBGYNIPKZRJ-UHFFFAOYSA-N

Data: 2 KI

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 = 50383386   
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))
BDBM50383386
PNG
(CHEMBL2029362)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50383386
PNG
(CHEMBL2029362)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair