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BDBM50372832 CHEMBL272068

SMILES: Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O

InChI Key: InChIKey=OMYKGVIQNBTKOU-FQEVSTJZSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50372832   
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))
BDBM50372832
PNG
(CHEMBL272068)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C28H36FN7O3/c1-28(2,26(37)38)22-15-21(25-32-33-34-35(25)3)16-24(17-22)31-27(39)30-11-5-13-36-12-4-6-20(18-36)14-19-7-9-23(29)10-8-19/h7-10,15-17,20H,4-6,11-14,18H2,1-3H3,(H,37,38)(H2,30,31,39)/t20-/m0/s1
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Article
PubMed
n/an/a 1.10n/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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50372832
PNG
(CHEMBL272068)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C28H36FN7O3/c1-28(2,26(37)38)22-15-21(25-32-33-34-35(25)3)16-24(17-22)31-27(39)30-11-5-13-36-12-4-6-20(18-36)14-19-7-9-23(29)10-8-19/h7-10,15-17,20H,4-6,11-14,18H2,1-3H3,(H,37,38)(H2,30,31,39)/t20-/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.20E+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))
BDBM50372832
PNG
(CHEMBL272068)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C28H36FN7O3/c1-28(2,26(37)38)22-15-21(25-32-33-34-35(25)3)16-24(17-22)31-27(39)30-11-5-13-36-12-4-6-20(18-36)14-19-7-9-23(29)10-8-19/h7-10,15-17,20H,4-6,11-14,18H2,1-3H3,(H,37,38)(H2,30,31,39)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.304n/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