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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 = 'BDBM50372842'   
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))
BDBM50372842
PNG
(CHEMBL404122)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O/c1-19(2)23-15-24(27-32-33-34-35(27)4)17-26(16-23)31-28(37)30-20(3)11-13-36-12-5-6-22(18-36)14-21-7-9-25(29)10-8-21/h7-10,15-17,19-20,22H,5-6,11-14,18H2,1-4H3,(H2,30,31,37)/t20-,22+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0210n/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))
BDBM50372842
PNG
(CHEMBL404122)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O/c1-19(2)23-15-24(27-32-33-34-35(27)4)17-26(16-23)31-28(37)30-20(3)11-13-36-12-5-6-22(18-36)14-21-7-9-25(29)10-8-21/h7-10,15-17,19-20,22H,5-6,11-14,18H2,1-4H3,(H2,30,31,37)/t20-,22+/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