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BDBM50316518 CHEMBL1097455::N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

SMILES: CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=WYLPBGSDNSBKPW-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50316518   
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))
BDBM50316518
PNG
(CHEMBL1097455 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/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))
BDBM50316518
PNG
(CHEMBL1097455 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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))
BDBM50316518
PNG
(CHEMBL1097455 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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