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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM228190'   
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))
BDBM228190
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7OS/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-18(34)21-17(6-19(36-21)24(25,26)27)16-8-29-23(30-9-16)15-4-5-15/h6,8-9,12-15,18,28H,4-5,7,10-11H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.4n/a



IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...


US Patent US10047080 (2018)

More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM228190
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7OS/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-18(34)21-17(6-19(36-21)24(25,26)27)16-8-29-23(30-9-16)15-4-5-15/h6,8-9,12-15,18,28H,4-5,7,10-11H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 524n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


US Patent US10047080 (2018)

More data for this
Ligand-Target Pair