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SMILES: CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

InChI Key: InChIKey=HAYYBYPASCDWEQ-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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 153 hits for monomerid = 158154   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a>200n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to st...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SB48X4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TRKA assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116396
BindingDB Entry DOI: 10.7270/Q21C21MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116396
BindingDB Entry DOI: 10.7270/Q21C21MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 124n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK secondary L1196M mutant assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116396
BindingDB Entry DOI: 10.7270/Q21C21MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128409
BindingDB Entry DOI: 10.7270/Q2CZ3C28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKC (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128409
BindingDB Entry DOI: 10.7270/Q2CZ3C28
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ROS1 (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128409
BindingDB Entry DOI: 10.7270/Q2CZ3C28
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKA (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128409
BindingDB Entry DOI: 10.7270/Q2CZ3C28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKB (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128409
BindingDB Entry DOI: 10.7270/Q2CZ3C28
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TrkA (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00712
BindingDB Entry DOI: 10.7270/Q27W6H3K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TrkB (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00712
BindingDB Entry DOI: 10.7270/Q27W6H3K
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TrkC (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00712
BindingDB Entry DOI: 10.7270/Q27W6H3K
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ROS1 (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00712
BindingDB Entry DOI: 10.7270/Q27W6H3K
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00712
BindingDB Entry DOI: 10.7270/Q27W6H3K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114096
BindingDB Entry DOI: 10.7270/Q2V128V0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114096
BindingDB Entry DOI: 10.7270/Q2V128V0
More data for this
Ligand-Target Pair
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