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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50299171'   
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))
BDBM50299171
PNG
((6aR,9R)-N9,N9-diethyl-4-methyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(C)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:22|
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-29(23)3)15-24(22)31(17-19)27(33)28-20-10-7-6-8-11-20/h6-14,16,19,24H,4-5,15,17H2,1-3H3,(H,28,33)/t19-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50299171
PNG
((6aR,9R)-N9,N9-diethyl-4-methyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(C)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:22|
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-29(23)3)15-24(22)31(17-19)27(33)28-20-10-7-6-8-11-20/h6-14,16,19,24H,4-5,15,17H2,1-3H3,(H,28,33)/t19-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair