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BDBM228190 1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl}-2-(3-isopropyl-[1,2,4]triazol-1-yl)-ethanone::US10047080, 16

SMILES: CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1

InChI Key: InChIKey=KICFIKQFPNPRSY-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 = 228190   
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)
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
AffyNet 
PC cid
PC sid
UniChem
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
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
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/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