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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P49238   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CX3C chemokine receptor 1


(Homo sapiens (Human))
BDBM50559936
PNG
(CHEMBL4744046)
Show SMILES [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]([H])(N(C2)C#N)c1[nH]c2ccccc2c1CCn1cc(nn1)-c1cccc(Cl)c1 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.47E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human CX3CR1 expressed in CHO-K1 cells by PathHunter beta-arrestin assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115546
BindingDB Entry DOI: 10.7270/Q2F193D1
More data for this
Ligand-Target Pair
CX3C chemokine receptor 1


(Homo sapiens (Human))
BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CX3CR1 (unknown origin)


J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair