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BDBM208706 US9266876, 173

SMILES: C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F

InChI Key: InChIKey=CRYXEDQPNCNOKN-CYBMUJFWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 208706   
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
CXCR3A / G protein (Galpha(16))


(Homo sapiens (Human))
BDBM208706
PNG
(US9266876, 173)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7OS/c1-13-11-29(9-10-31(13)16(32)12-30-8-4-7-25-30)19-17(28-20(33-19)21(22,23)24)18-26-14-5-2-3-6-15(14)27-18/h2-8,13H,9-12H2,1H3,(H,26,27)/t13-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.437



Actelion 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 US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair