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BDBM50314110 1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl)propan-1-one::CHEMBL1093997

SMILES: CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1

InChI Key: InChIKey=IQHYUQQDFXJXRD-UHFFFAOYSA-N

Data: 2 IC50

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 = 50314110   
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))
BDBM50314110
PNG
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3
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PC sid
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Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314110
PNG
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N2O2/c1-2-18(28)21-19(26)16-10-15(11-3-5-12(23)6-4-11)20(27-22(16)29-21)14-8-7-13(24)9-17(14)25/h3-10H,2,26H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair