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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 = 'BDBM50372006'   
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))
BDBM50372006
PNG
(CHEMBL256850)
Show SMILES CC(C)Oc1ccc2ccc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC3=CC4CCCC(C3)N4C(C)=O)nc2c1 |w:27.29,23.24,t:23,TLB:30:29:21.28.22:24.26.25,THB:20:19:13.12.18:15.16|
Show InChI InChI=1S/C30H40N4O2/c1-19(2)36-28-11-7-22-8-12-30(32-29(22)17-28)31-23-15-24-9-10-25(16-23)33(24)18-21-13-26-5-4-6-27(14-21)34(26)20(3)35/h7-8,11-13,17,19,23-27H,4-6,9-10,14-16,18H2,1-3H3,(H,31,32)/t23-,24-,25+,26?,27?
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding


Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair