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BDBM50389703 CHEMBL2070075::US10544104, Compound 148::US9765037, Compound 148

SMILES: CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12

InChI Key: InChIKey=OKZQYDCLJOBEOA-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50389703   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL using EAIYAAPFAKKK-OH as substrate by phosphorimaging method


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 120n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using myelin basic protein as substrate after 180 mins


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human EPHA3 using myelin basic protein as substrate after 120 mins


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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US Patent
n/an/a 5.58E+3n/an/an/an/an/an/a



UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO

US Patent


Assay Description
Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...


US Patent US10544104 (2020)


BindingDB Entry DOI: 10.7270/Q2D79DSF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human EGFR using poly glu-Tyr as substrate after 30 mins


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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US Patent
n/an/a 5.58E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MVC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US10544104, Compound 148 | US97650...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-3-30-19-7-6-15-12-17(5-4-16(15)13-19)21-20-22(24)25-14-26-23(20)29(27-21)18-8-10-28(2)11-9-18/h4-7,12-14,18H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 mins


J Med Chem 55: 2416-26 (2012)


Article DOI: 10.1021/jm201713h
BindingDB Entry DOI: 10.7270/Q2P2706V
More data for this
Ligand-Target Pair