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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50303801'   
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
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
BindingDB Entry DOI: 10.7270/Q2Z89GT1
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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CHEMBL
MCE
PC cid
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PDB
UniChem

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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2Z89GT1
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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PubMed
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>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)
PDB
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KEGG

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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2Z89GT1
More data for this
Ligand-Target Pair