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BDBM50254448 1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::1-(6-((ethyl(3-(4-fluorophenyl)propyl)amino)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::CHEMBL461445

SMILES: CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C

InChI Key: InChIKey=JPDQWWXKNYFGDS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50254448   
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))
BDBM50254448
PNG
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)
Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37)
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UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.470n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50254448
PNG
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)
Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50254448
PNG
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)
Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+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))
BDBM50254448
PNG
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)
Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.180n/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