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BDBM50229381 (R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide::CHEMBL254083

SMILES: CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=XWZAPHVEMQANSG-HXUWFJFHSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229381   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50229381
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N3O3S/c1-3-42(40,41)15-14-38(29(39)17-22-10-13-27(32)26(16-22)31(33,34)35)20(2)30-25(23-11-8-21(19-36)9-12-23)18-24-6-4-5-7-28(24)37-30/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229381
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N3O3S/c1-3-42(40,41)15-14-38(29(39)17-22-10-13-27(32)26(16-22)31(33,34)35)20(2)30-25(23-11-8-21(19-36)9-12-23)18-24-6-4-5-7-28(24)37-30/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as ITAC-mediated migration of human PBMC in presence of 100% human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229381
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N3O3S/c1-3-42(40,41)15-14-38(29(39)17-22-10-13-27(32)26(16-22)31(33,34)35)20(2)30-25(23-11-8-21(19-36)9-12-23)18-24-6-4-5-7-28(24)37-30/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair