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BDBM501362 US11021511, Compound 6a

SMILES: CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12

InChI Key:

Data: 1 IC50  1 Kd  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 501362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stimulator of interferon genes protein (aa 139-379 H232R)


(Homo sapiens (Human))
BDBM501362
PNG
(US11021511, Compound 6a)
Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Janssen Biotech, Inc.

US Patent


Assay Description
The human STING SPA binding assay measures displacement of tritium labeled 2′,3′cGAMP (cyclic (guanosine-(2′→5′)-monoph...


US Patent US11021511 (2021)

More data for this
Ligand-Target Pair
Stimulator of interferon genes protein (aa 139-379 H232R)


(Homo sapiens (Human))
BDBM501362
PNG
(US11021511, Compound 6a)
Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 6n/an/an/an/an/a



Janssen Biotech, Inc.

US Patent


Assay Description
Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S str...


US Patent US11021511 (2021)

More data for this
Ligand-Target Pair
Stimulator of interferon genes protein (aa 139-379 H232R)


(Homo sapiens (Human))
BDBM501362
PNG
(US11021511, Compound 6a)
Show SMILES CO[C@@H]1[C@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@@](S)(=O)O[C@H]1[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 53n/an/an/an/a



Janssen Biotech, Inc.

US Patent


Assay Description
Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integ...


US Patent US11021511 (2021)

More data for this
Ligand-Target Pair