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SMILES: C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1

InChI Key: InChIKey=USWHNYCYCAKUDH-VWNXMTODSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50372830   
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))
BDBM50372830
PNG
(CHEMBL270147)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O/c1-22(10-16-35-13-2-5-24(21-35)17-23-6-8-25(30)9-7-23)33-29(38)34-26-18-27(36-14-3-11-31-36)20-28(19-26)37-15-4-12-32-37/h3-4,6-9,11-12,14-15,18-20,22,24H,2,5,10,13,16-17,21H2,1H3,(H2,33,34,38)/t22-,24+/m1/s1
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Article
PubMed
n/an/a 1.70n/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))
BDBM50372830
PNG
(CHEMBL270147)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O/c1-22(10-16-35-13-2-5-24(21-35)17-23-6-8-25(30)9-7-23)33-29(38)34-26-18-27(36-14-3-11-31-36)20-28(19-26)37-15-4-12-32-37/h3-4,6-9,11-12,14-15,18-20,22,24H,2,5,10,13,16-17,21H2,1H3,(H2,33,34,38)/t22-,24+/m1/s1
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Article
PubMed
n/an/a 3.00E+3n/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))
BDBM50372830
PNG
(CHEMBL270147)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O/c1-22(10-16-35-13-2-5-24(21-35)17-23-6-8-25(30)9-7-23)33-29(38)34-26-18-27(36-14-3-11-31-36)20-28(19-26)37-15-4-12-32-37/h3-4,6-9,11-12,14-15,18-20,22,24H,2,5,10,13,16-17,21H2,1H3,(H2,33,34,38)/t22-,24+/m1/s1
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/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