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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50446651'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446651
PNG
(CHEMBL3116476)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)-c1nnc(C)o1
Show InChI InChI=1S/C25H32Cl2N8O/c1-3-19-15-34(24-22(27)29-21(23(28)30-24)25-32-31-16(2)36-25)12-13-35(19)20-8-10-33(11-9-20)14-17-4-6-18(26)7-5-17/h4-7,19-20H,3,8-15H2,1-2H3,(H2,28,30)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair