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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50300903'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300903
PNG
(CHEMBL570857 | rac-N-(1-(3-(4-cyanophenyl)-8-(dime...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)N(C)C)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300903
PNG
(CHEMBL570857 | rac-N-(1-(3-(4-cyanophenyl)-8-(dime...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)N(C)C)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300903
PNG
(CHEMBL570857 | rac-N-(1-(3-(4-cyanophenyl)-8-(dime...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)N(C)C)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% 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