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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50371494'   
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))
BDBM50371494
PNG
(CHEMBL256589)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C32H33F4N3O4S/c1-4-43-26-14-12-25(13-15-26)39-21-29(24-9-7-6-8-10-24)37-31(39)22(3)38(17-18-44(41,42)5-2)30(40)20-23-11-16-28(33)27(19-23)32(34,35)36/h6-16,19,21-22H,4-5,17-18,20H2,1-3H3/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371494
PNG
(CHEMBL256589)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C32H33F4N3O4S/c1-4-43-26-14-12-25(13-15-26)39-21-29(24-9-7-6-8-10-24)37-31(39)22(3)38(17-18-44(41,42)5-2)30(40)20-23-11-16-28(33)27(19-23)32(34,35)36/h6-16,19,21-22H,4-5,17-18,20H2,1-3H3/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC in presence of plasma


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair