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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 = 'BDBM397000'   
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))
BDBM397000
PNG
(US10442810, Example 62 | US10844069, Example 62 | ...)
Show SMILES CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C35H39N9O4/c1-5-40(4)34(47)41-17-15-24(16-18-41)29-19-27(30-31(36)37-21-38-44(29)30)23-11-13-25(14-12-23)39-32(45)28-20-42(22(2)3)35(48)43(33(28)46)26-9-7-6-8-10-26/h6-14,19-22,24H,5,15-18H2,1-4H3,(H,39,45)(H2,36,37,38)
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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))
BDBM397000
PNG
(US10442810, Example 62 | US10844069, Example 62 | ...)
Show SMILES CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C35H39N9O4/c1-5-40(4)34(47)41-17-15-24(16-18-41)29-19-27(30-31(36)37-21-38-44(29)30)23-11-13-25(14-12-23)39-32(45)28-20-42(22(2)3)35(48)43(33(28)46)26-9-7-6-8-10-26/h6-14,19-22,24H,5,15-18H2,1-4H3,(H,39,45)(H2,36,37,38)
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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))
BDBM397000
PNG
(US10442810, Example 62 | US10844069, Example 62 | ...)
Show SMILES CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C35H39N9O4/c1-5-40(4)34(47)41-17-15-24(16-18-41)29-19-27(30-31(36)37-21-38-44(29)30)23-11-13-25(14-12-23)39-32(45)28-20-42(22(2)3)35(48)43(33(28)46)26-9-7-6-8-10-26/h6-14,19-22,24H,5,15-18H2,1-4H3,(H,39,45)(H2,36,37,38)
PDB
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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))
BDBM397000
PNG
(US10442810, Example 62 | US10844069, Example 62 | ...)
Show SMILES CCN(C)C(=O)N1CCC(CC1)c1cc(-c2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccccc4)c3=O)cc2)c2c(N)ncnn12
Show InChI InChI=1S/C35H39N9O4/c1-5-40(4)34(47)41-17-15-24(16-18-41)29-19-27(30-31(36)37-21-38-44(29)30)23-11-13-25(14-12-23)39-32(45)28-20-42(22(2)3)35(48)43(33(28)46)26-9-7-6-8-10-26/h6-14,19-22,24H,5,15-18H2,1-4H3,(H,39,45)(H2,36,37,38)
PDB
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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