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BDBM50254447 1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)urea::1-(4-tert-butylthiazol-2-yl)-3-(6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)urea::CHEMBL468695

SMILES: CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O

InChI Key: InChIKey=UKCCRJLNYAYHBT-JIUXCQJLSA-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 = 50254447   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50254447
PNG
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)
Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1
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Article
PubMed
n/an/a 5.5n/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
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50254447
PNG
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)
Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50254447
PNG
(1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...)
Show SMILES CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H38FN5O3S/c1-26(2,3)21-16-37-24(29-21)30-23(34)31-27(4)17-32(5)25(35)36-22(27)15-33-12-6-7-19(14-33)13-18-8-10-20(28)11-9-18/h8-11,16,19,22H,6-7,12-15,17H2,1-5H3,(H2,29,30,31,34)/t19-,22?,27?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/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
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair