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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50255006'   
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))
BDBM50255006
PNG
(1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR3 receptor (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
More data for this
Ligand-Target Pair