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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 673.6
BDBM50300917

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50300917
PNG
(CHEMBL570878 | rac-N-(1-(3-(4-cyanophenyl)-7-isopr...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2nc(OC(C)C)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H31F4N5O5S/c1-5-47(44,45)15-14-40(28(42)17-22-8-12-26(33)25(16-22)32(34,35)36)20(4)30-39-29-24(11-13-27(38-29)46-19(2)3)31(43)41(30)23-9-6-21(18-37)7-10-23/h6-13,16,19-20H,5,14-15,17H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50300917
PNG
(CHEMBL570878 | rac-N-(1-(3-(4-cyanophenyl)-7-isopr...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2nc(OC(C)C)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H31F4N5O5S/c1-5-47(44,45)15-14-40(28(42)17-22-8-12-26(33)25(16-22)32(34,35)36)20(4)30-39-29-24(11-13-27(38-29)46-19(2)3)31(43)41(30)23-9-6-21(18-37)7-10-23/h6-13,16,19-20H,5,14-15,17H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair