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BDBM21286 5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole::Tetrahydropyranyl-methyl analogue, 7

SMILES: CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C

InChI Key: InChIKey=RSALASLNYRMGOC-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 = 21286   
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))
BDBM21286
PNG
(5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C
Show InChI InChI=1S/C22H28FNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/a 36.5n/an/an/an/a



Abbott Laboratories



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21286
PNG
(5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C
Show InChI InChI=1S/C22H28FNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.21E+3 -8.20n/an/an/an/an/a7.430



Abbott Laboratories



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2
More data for this
Ligand-Target Pair