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BDBM50303801 CHEMBL571546::N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamide

SMILES: O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1

InChI Key: InChIKey=HUNGUWOZPQBXGX-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 50303801   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of src kinase


J Med Chem 53: 1238-49 (2010)


Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of src kinase


J Med Chem 53: 1238-49 (2010)


Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



Athenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL (unknown origin)


J Med Chem 61: 4704-4719 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00164
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 13n/an/an/an/an/an/a



Athenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of human c-SRC expressed in mouse NIH/3T3 cells assessed as inhibition of cell growth in presence of 1.5% FCS by BrdU incorporation assay


J Med Chem 61: 4704-4719 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00164
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 6.5n/an/an/an/an/an/a



Athenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of human c-SRC expressed in mouse NIH/3T3 cells assessed as inhibition of cell growth in presence of 0.5% FCS


J Med Chem 61: 4704-4719 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00164
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



Athenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN (unknown origin)


J Med Chem 61: 4704-4719 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00164
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Athenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


J Med Chem 61: 4704-4719 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00164
More data for this
Ligand-Target Pair