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BDBM330916 US9725445, 3-97

SMILES: FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O

InChI Key: InChIKey=VFVFKKGGQDQNOZ-WBMJQRKESA-N

Data: 2 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 2 hits for monomerid = 330916   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM330916
PNG
(US9725445, 3-97)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C22H19F3N6O2/c23-22(24,25)11-30-10-13-8-14(4-5-15(13)21(30)33)28-19-18-17(6-7-27-20(18)32)31(29-19)16-3-1-2-12(16)9-26/h4-8,12,16H,1-3,10-11H2,(H,27,32)(H,28,29)/t12-,16+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330916
PNG
(US9725445, 3-97)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C22H19F3N6O2/c23-22(24,25)11-30-10-13-8-14(4-5-15(13)21(30)33)28-19-18-17(6-7-27-20(18)32)31(29-19)16-3-1-2-12(16)9-26/h4-8,12,16H,1-3,10-11H2,(H,27,32)(H,28,29)/t12-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 82n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair