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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 = 'BDBM50394113'   
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))
BDBM50394113
PNG
(CHEMBL2158792)
Show SMILES Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r|
Show InChI InChI=1S/C28H36ClFN2O3/c1-20-17-25(7-8-26(20)29)35-24-11-13-31(14-12-24)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-5-23(30)6-4-21/h3-8,17,22,24H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.26n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
More data for this
Ligand-Target Pair