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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50372826'   
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))
BDBM50372826
PNG
(CHEMBL401879)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O2/c1-21(15-28(38)35-12-2-5-23(20-35)16-22-6-8-24(30)9-7-22)33-29(39)34-25-17-26(36-13-3-10-31-36)19-27(18-25)37-14-4-11-32-37/h3-4,6-11,13-14,17-19,21,23,28,38H,2,5,12,15-16,20H2,1H3,(H2,33,34,39)/t21-,23+,28-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.0500n/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))
BDBM50372826
PNG
(CHEMBL401879)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O2/c1-21(15-28(38)35-12-2-5-23(20-35)16-22-6-8-24(30)9-7-22)33-29(39)34-25-17-26(36-13-3-10-31-36)19-27(18-25)37-14-4-11-32-37/h3-4,6-11,13-14,17-19,21,23,28,38H,2,5,12,15-16,20H2,1H3,(H2,33,34,39)/t21-,23+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/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