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BDBM50399518 CHEMBL2180214

SMILES: Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl

InChI Key: InChIKey=VTAYCQBRFIDJBA-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 = 50399518   
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))
BDBM50399518
PNG
(CHEMBL2180214)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2S/c29-19-10-12-21(13-11-19)36-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)36)35-16-14-20(15-17-35)34-39(37,38)22-6-2-1-3-7-22/h1-13,18,20,34H,14-17H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/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: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399518
PNG
(CHEMBL2180214)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2S/c29-19-10-12-21(13-11-19)36-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)36)35-16-14-20(15-17-35)34-39(37,38)22-6-2-1-3-7-22/h1-13,18,20,34H,14-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.87E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair