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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 410.4
BDBM294916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
JAK1 (aa866-1154)


(Homo sapiens (Human))
BDBM294916
PNG
(US10112907, Example 00027)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM294916
PNG
(US10112907, Example 00027)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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))
BDBM294916
PNG
(US10112907, Example 00027)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
PDB

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))
BDBM294916
PNG
(US10112907, Example 00027)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 380n/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