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BDBM50316520 CHEMBL1095159::N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-yl]-2,2-difluoro-3-hydroxypropanamide

SMILES: CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=MCGIWMYXNXWIGG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50316520   
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))
BDBM50316520
PNG
(CHEMBL1095159 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316520
PNG
(CHEMBL1095159 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50316520
PNG
(CHEMBL1095159 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
PDB

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair