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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50358614'   
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-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358614
PNG
(CHEMBL1921863)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NC |r|
Show InChI InChI=1S/C24H33Cl2N7O/c1-3-18-15-32(23-21(26)29-20(22(27)30-23)24(34)28-2)12-13-33(18)19-8-10-31(11-9-19)14-16-4-6-17(25)7-5-16/h4-7,18-19H,3,8-15H2,1-2H3,(H2,27,30)(H,28,34)/t18-/m0/s1
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair