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BDBM228176 2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(2-ethoxy-pyrimidin-5-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl}-ethanone::US10047080, 3

SMILES: CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)(C)C)C(F)(F)F

InChI Key: InChIKey=LXQYQEOQGGLOJZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228176   
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)
BDBM228176
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H30F3N7O2S/c1-6-36-22-29-9-15(10-30-22)16-7-18(24(25,26)27)37-20(16)17-11-28-8-14(2)34(17)19(35)12-33-13-31-21(32-33)23(3,4)5/h7,9-10,13-14,17,28H,6,8,11-12H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 552n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228176
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H30F3N7O2S/c1-6-36-22-29-9-15(10-30-22)16-7-18(24(25,26)27)37-20(16)17-11-28-8-14(2)34(17)19(35)12-33-13-31-21(32-33)23(3,4)5/h7,9-10,13-14,17,28H,6,8,11-12H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/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