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BDBM50314116 1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl)-2,2-dimethylpropan-1-one::CHEMBL1089352

SMILES: CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1

InChI Key: InChIKey=VRYKHTZYQIFBKP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314116   
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))
BDBM50314116
PNG
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)
Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3
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Similars

Article
PubMed
n/an/a 1.90E+3n/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))
BDBM50314116
PNG
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)
Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/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