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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 = 'BDBM50446658'   
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))
BDBM50446658
PNG
(CHEMBL3116469)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)C1=NCCN1
Show InChI InChI=1S/C26H33Cl2FN6/c1-2-21-17-34(26-23(28)13-19(15-32-26)25-30-7-8-31-25)11-12-35(21)22-5-9-33(10-6-22)16-18-3-4-20(27)14-24(18)29/h3-4,13-15,21-22H,2,5-12,16-17H2,1H3,(H,30,31)/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/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