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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM397057'   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM397057
PNG
(US10442810, Example 120 | US10844069, Example 120 ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(cn(-c4ccccc4)c3=O)C#C[C@H](C)O)cc2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C37H37N7O4/c1-23(2)36(47)42-17-15-27(16-18-42)32-20-30(33-34(38)39-22-40-44(32)33)26-11-13-28(14-12-26)41-35(46)31-19-25(10-9-24(3)45)21-43(37(31)48)29-7-5-4-6-8-29/h4-8,11-14,19-24,27,45H,15-18H2,1-3H3,(H,41,46)(H2,38,39,40)/t24-/m0/s1
PDB
MMDB

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n/an/a<5n/an/an/an/an/an/a



Pfizer



Assay Description
Tyro3, and Mer:The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolve...


J Med Chem 52: 3576-85 (2009)


BindingDB Entry DOI: 10.7270/Q2FB5593
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM397057
PNG
(US10442810, Example 120 | US10844069, Example 120 ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(cn(-c4ccccc4)c3=O)C#C[C@H](C)O)cc2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C37H37N7O4/c1-23(2)36(47)42-17-15-27(16-18-42)32-20-30(33-34(38)39-22-40-44(32)33)26-11-13-28(14-12-26)41-35(46)31-19-25(10-9-24(3)45)21-43(37(31)48)29-7-5-4-6-8-29/h4-8,11-14,19-24,27,45H,15-18H2,1-3H3,(H,41,46)(H2,38,39,40)/t24-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10442810 (2019)


BindingDB Entry DOI: 10.7270/Q2NG4T17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM397057
PNG
(US10442810, Example 120 | US10844069, Example 120 ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(cn(-c4ccccc4)c3=O)C#C[C@H](C)O)cc2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C37H37N7O4/c1-23(2)36(47)42-17-15-27(16-18-42)32-20-30(33-34(38)39-22-40-44(32)33)26-11-13-28(14-12-26)41-35(46)31-19-25(10-9-24(3)45)21-43(37(31)48)29-7-5-4-6-8-29/h4-8,11-14,19-24,27,45H,15-18H2,1-3H3,(H,41,46)(H2,38,39,40)/t24-/m0/s1
PDB
MMDB

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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10844069 (2020)


BindingDB Entry DOI: 10.7270/Q2CZ3B73
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM397057
PNG
(US10442810, Example 120 | US10844069, Example 120 ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cc(cn(-c4ccccc4)c3=O)C#C[C@H](C)O)cc2)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C37H37N7O4/c1-23(2)36(47)42-17-15-27(16-18-42)32-20-30(33-34(38)39-22-40-44(32)33)26-11-13-28(14-12-26)41-35(46)31-19-25(10-9-24(3)45)21-43(37(31)48)29-7-5-4-6-8-29/h4-8,11-14,19-24,27,45H,15-18H2,1-3H3,(H,41,46)(H2,38,39,40)/t24-/m0/s1
PDB
MMDB

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n/an/a>100n/an/an/an/an/an/a


TBA

Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MW2N2P
More data for this
Ligand-Target Pair