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BDBM50320179 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYDROXY-2-METHYLPROPAN-2-YL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX)::6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide::CHEMBL1082321

SMILES: CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=JUNWVTKDXNTEJW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320179   
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))
BDBM50320179
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYD...)
Show SMILES CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)32-24(34)21-13-27(3,4)35-25-20(21)12-19(15-5-7-16(28)8-6-15)23(31-25)18-10-9-17(29)11-22(18)30/h5-12,21,33H,13-14H2,1-4H3,(H,32,34)
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Article
PubMed
n/an/a 5.15E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320179
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYD...)
Show SMILES CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)32-24(34)21-13-27(3,4)35-25-20(21)12-19(15-5-7-16(28)8-6-15)23(31-25)18-10-9-17(29)11-22(18)30/h5-12,21,33H,13-14H2,1-4H3,(H,32,34)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair