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BDBM50142444 1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)-3-(3-methyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-[3-methyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea::CHEMBL444568

SMILES: Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=LCJFXGJVEJVLLZ-FQEVSTJZSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50142444   
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))
BDBM50142444
PNG
(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-18-13-21(24-29-30-31-32(24)2)16-23(14-18)28-25(34)27-10-4-12-33-11-3-5-20(17-33)15-19-6-8-22(26)9-7-19/h6-9,13-14,16,20H,3-5,10-12,15,17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.


Bioorg Med Chem Lett 14: 1645-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.059
BindingDB Entry DOI: 10.7270/Q2RB741N
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50142444
PNG
(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-18-13-21(24-29-30-31-32(24)2)16-23(14-18)28-25(34)27-10-4-12-33-11-3-5-20(17-33)15-19-6-8-22(26)9-7-19/h6-9,13-14,16,20H,3-5,10-12,15,17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50142444
PNG
(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-18-13-21(24-29-30-31-32(24)2)16-23(14-18)28-25(34)27-10-4-12-33-11-3-5-20(17-33)15-19-6-8-22(26)9-7-19/h6-9,13-14,16,20H,3-5,10-12,15,17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50142444
PNG
(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-18-13-21(24-29-30-31-32(24)2)16-23(14-18)28-25(34)27-10-4-12-33-11-3-5-20(17-33)15-19-6-8-22(26)9-7-19/h6-9,13-14,16,20H,3-5,10-12,15,17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from human CCR3 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair