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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50264142'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50264142
PNG
(Biphenyl-2-carboxylic acid [(1R,5R)-8-(6-fluoro-na...)
Show SMILES Fc1ccc2cc(CN3C4CCC3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |TLB:7:8:14.15.13:10.11,16:14:8:10.11|
Show InChI InChI=1S/C31H29FN2O/c32-25-13-12-23-16-21(10-11-24(23)17-25)20-34-27-14-15-28(34)19-26(18-27)33-31(35)30-9-5-4-8-29(30)22-6-2-1-3-7-22/h1-13,16-17,26-28H,14-15,18-20H2,(H,33,35)
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n/an/a 20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux


Bioorg Med Chem 17: 5989-6002 (2009)


Article DOI: 10.1016/j.bmc.2009.06.066
BindingDB Entry DOI: 10.7270/Q2WD40NV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50264142
PNG
(Biphenyl-2-carboxylic acid [(1R,5R)-8-(6-fluoro-na...)
Show SMILES Fc1ccc2cc(CN3C4CCC3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |TLB:7:8:14.15.13:10.11,16:14:8:10.11|
Show InChI InChI=1S/C31H29FN2O/c32-25-13-12-23-16-21(10-11-24(23)17-25)20-34-27-14-15-28(34)19-26(18-27)33-31(35)30-9-5-4-8-29(30)22-6-2-1-3-7-22/h1-13,16-17,26-28H,14-15,18-20H2,(H,33,35)
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n/an/a 20n/an/an/an/an/an/a



Astellas Pharma. Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 receptor expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium influx by spectrophotometry


Bioorg Med Chem 16: 8607-18 (2008)


Article DOI: 10.1016/j.bmc.2008.08.006
BindingDB Entry DOI: 10.7270/Q21J9BPZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50264142
PNG
(Biphenyl-2-carboxylic acid [(1R,5R)-8-(6-fluoro-na...)
Show SMILES Fc1ccc2cc(CN3C4CCC3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |TLB:7:8:14.15.13:10.11,16:14:8:10.11|
Show InChI InChI=1S/C31H29FN2O/c32-25-13-12-23-16-21(10-11-24(23)17-25)20-34-27-14-15-28(34)19-26(18-27)33-31(35)30-9-5-4-8-29(30)22-6-2-1-3-7-22/h1-13,16-17,26-28H,14-15,18-20H2,(H,33,35)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Astellas Pharma. Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 receptor expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium influx by spectrophotometry


Bioorg Med Chem 16: 8607-18 (2008)


Article DOI: 10.1016/j.bmc.2008.08.006
BindingDB Entry DOI: 10.7270/Q21J9BPZ
More data for this
Ligand-Target Pair