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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4
BDBM50349666

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))
BDBM50349666
PNG
(CHEMBL1809031)
Show SMILES CNC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:7|
Show InChI InChI=1S/C21H24N4O2/c1-22-21(27)25-12-14(20(26)24-7-2-3-8-24)9-16-15-5-4-6-17-19(15)13(11-23-17)10-18(16)25/h4-6,9,11,14,18,23H,2-3,7-8,10,12H2,1H3,(H,22,27)/t14-,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50349666
PNG
(CHEMBL1809031)
Show SMILES CNC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:7|
Show InChI InChI=1S/C21H24N4O2/c1-22-21(27)25-12-14(20(26)24-7-2-3-8-24)9-16-15-5-4-6-17-19(15)13(11-23-17)10-18(16)25/h4-6,9,11,14,18,23H,2-3,7-8,10,12H2,1H3,(H,22,27)/t14-,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair