BindingDB logo
myBDB logout

null

SMILES: CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=DIIYNJJEHJXNPJ-GOSISDBHSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50371510   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50371510
PNG
(CHEMBL270591)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F4N4O3S/c1-3-40(38,39)13-12-35(26(37)15-20-6-11-24(29)23(14-20)28(30,31)32)18(2)27-34-25(21-7-8-21)17-36(27)22-9-4-19(16-33)5-10-22/h4-6,9-11,14,17-18,21H,3,7-8,12-13,15H2,1-2H3/t18-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50371510
PNG
(CHEMBL270591)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F4N4O3S/c1-3-40(38,39)13-12-35(26(37)15-20-6-11-24(29)23(14-20)28(30,31)32)18(2)27-34-25(21-7-8-21)17-36(27)22-9-4-19(16-33)5-10-22/h4-6,9-11,14,17-18,21H,3,7-8,12-13,15H2,1-2H3/t18-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/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