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BDBM229009 US9328099, 10-3

SMILES: NC(=O)c1cn(nc1Nc1ccc(nc1)C(O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F

InChI Key: InChIKey=GDKZKFJAUFDVQH-UHFFFAOYSA-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 = 229009   
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 JAK1


(Homo sapiens (Human))
BDBM229009
PNG
(US9328099, 10-3)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(nc1)C(O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C21H21F6N7O4/c22-20(23,24)11-38-18(37)33-7-4-19(3-6-28,5-8-33)34-10-13(16(29)36)17(32-34)31-12-1-2-14(30-9-12)15(35)21(25,26)27/h1-2,9-10,15,35H,3-5,7-8,11H2,(H2,29,36)(H,31,32)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0600n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...


US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM229009
PNG
(US9328099, 10-3)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(nc1)C(O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C21H21F6N7O4/c22-20(23,24)11-38-18(37)33-7-4-19(3-6-28,5-8-33)34-10-13(16(29)36)17(32-34)31-12-1-2-14(30-9-12)15(35)21(25,26)27/h1-2,9-10,15,35H,3-5,7-8,11H2,(H2,29,36)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...


US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair