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BDBM50255006 1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3-methyl-2-oxo-1,3-oxazinan-5-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::CHEMBL464902

SMILES: CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O

InChI Key: InChIKey=RHPFRSVVYGFARI-IEXUWNMDSA-N

Data: 2 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 2 hits for monomerid = 50255006   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50255006
PNG
(1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50255006
PNG
(1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR3 receptor (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
More data for this
Ligand-Target Pair