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BDBM50389938 CHEMBL2071076

SMILES: Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1

InChI Key: InChIKey=MHZYZWDNQXPCRN-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50389938   
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 2


(Homo sapiens (Human))
BDBM50389938
PNG
(CHEMBL2071076)
Show SMILES Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)7-8-20-17(22)16-10-12-9-14(19)5-6-15(12)21-16/h1-6,9-10,21H,7-8H2,(H,20,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389938
PNG
(CHEMBL2071076)
Show SMILES Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)7-8-20-17(22)16-10-12-9-14(19)5-6-15(12)21-16/h1-6,9-10,21H,7-8H2,(H,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair