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BDBM208762 US9266876, 229

SMILES: CN(C)C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1

InChI Key: InChIKey=HUGGOWQWJJVVCL-QGZVFWFLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 208762   
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))
BDBM208762
PNG
(US9266876, 229)
Show SMILES CN(C)C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H27N9OS/c1-31(2)12-17-13-32(25-22(28-16-36-25)23-29-18-6-3-4-7-19(18)30-23)10-11-34(17)21(35)14-33-15-27-20-8-5-9-26-24(20)33/h3-9,15-17H,10-14H2,1-2H3,(H,29,30)/t17-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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