BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.5
BDBM50349650

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))
BDBM50349650
PNG
(CHEMBL1809009)
Show SMILES CC1CN(CC(C)O1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25|
Show InChI InChI=1S/C28H30N4O3/c1-17-14-31(15-18(2)35-17)27(33)20-11-23-22-9-6-10-24-26(22)19(13-29-24)12-25(23)32(16-20)28(34)30-21-7-4-3-5-8-21/h3-11,13,17-18,20,25,29H,12,14-16H2,1-2H3,(H,30,34)/t17?,18?,20-,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 216n/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))
BDBM50349650
PNG
(CHEMBL1809009)
Show SMILES CC1CN(CC(C)O1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25|
Show InChI InChI=1S/C28H30N4O3/c1-17-14-31(15-18(2)35-17)27(33)20-11-23-22-9-6-10-24-26(22)19(13-29-24)12-25(23)32(16-20)28(34)30-21-7-4-3-5-8-21/h3-11,13,17-18,20,25,29H,12,14-16H2,1-2H3,(H,30,34)/t17?,18?,20-,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+3n/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