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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 = 'BDBM50402118'   
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))
BDBM50402118
PNG
(CHEMBL2207283)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl |r|
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)19-4-3-18(11-20(19)21)38(2,35)36/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair