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BDBM294912 US10112907, Example 00021

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-]

InChI Key: InChIKey=DAEFGLZMHIAGMK-SNPRPXQTSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 294912   
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
JAK1 (aa866-1154)


(Homo sapiens (Human))
BDBM294912
PNG
(US10112907, Example 00021)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-]
Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...


US Patent US10112907 (2018)

More data for this
Ligand-Target Pair
TYK2 (aa888-1187)


(Homo sapiens (Human))
BDBM294912
PNG
(US10112907, Example 00021)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-]
Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...


US Patent US10112907 (2018)

More data for this
Ligand-Target Pair
JAK3 (aa811-1124)


(Homo sapiens (Human))
BDBM294912
PNG
(US10112907, Example 00021)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-]
Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...


US Patent US10112907 (2018)

More data for this
Ligand-Target Pair
JAK2 (aa808-1132)


(Homo sapiens (Human))
BDBM294912
PNG
(US10112907, Example 00021)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-]
Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...


US Patent US10112907 (2018)

More data for this
Ligand-Target Pair