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43 molecules are shown

Compile data set for download or QSAR
Wt: 402.4
BDBM50389703
Wt: 416.5
BDBM50389704
Wt: 388.4
BDBM50389708
Wt: 416.5
BDBM50389709
Wt: 430.5
BDBM50389710
Wt: 445.5
BDBM50389711
Wt: 430.5
BDBM50389712
Wt: 430.5
BDBM50389714
Wt: 416.5
BDBM50389717
Wt: 430.5
BDBM50389718
Wt: 444.5
BDBM50389719
Wt: 458.5
BDBM50389720
Wt: 402.4
BDBM50383381
<<  First   |  Previous   |  Displayed 31 to 43 (of 43 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50389703,50389704,50389708,50389709,50389710,50389711,50389712,50389714,50389717,50389718,50389719,50389720,50383381   
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))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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 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 ABL1


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a 4.60E+3n/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))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 960n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a 3.30E+3n/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))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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))
BDBM50389708
PNG
(CHEMBL2070074 | US9765037, Compound 138)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-2-29-18-6-5-14-11-16(4-3-15(14)12-18)20-19-21(23)25-13-26-22(19)28(27-20)17-7-9-24-10-8-17/h3-6,11-13,17,24H,2,7-10H2,1H3,(H2,23,25,26)
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n/an/a 5.00E+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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a>3.00E+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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389709
PNG
(CHEMBL2070076 | US9765037, Compound 149)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CC)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-29-11-9-19(10-12-29)30-24-21(23(25)26-15-27-24)22(28-30)18-6-5-17-14-20(31-4-2)8-7-16(17)13-18/h5-8,13-15,19H,3-4,9-12H2,1-2H3,(H2,25,26,27)
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n/an/a 8.70E+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))
BDBM50389710
PNG
(CHEMBL2070077)
Show SMILES CCCN1CCC(CC1)n1nc(-c2ccc3cc(OCC)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H30N6O/c1-3-11-30-12-9-20(10-13-30)31-25-22(24(26)27-16-28-25)23(29-31)19-6-5-18-15-21(32-4-2)8-7-17(18)14-19/h5-8,14-16,20H,3-4,9-13H2,1-2H3,(H2,26,27,28)
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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 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))
BDBM50389711
PNG
(CHEMBL2070078)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CCCN)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H31N7O/c1-2-33-21-7-6-17-14-19(5-4-18(17)15-21)23-22-24(27)28-16-29-25(22)32(30-23)20-8-12-31(13-9-20)11-3-10-26/h4-7,14-16,20H,2-3,8-13,26H2,1H3,(H2,27,28,29)
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n/an/a 730n/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))
BDBM50389712
PNG
(CHEMBL2070079)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C24H26N6O2/c1-3-32-20-7-6-16-12-18(5-4-17(16)13-20)22-21-23(25)26-14-27-24(21)30(28-22)19-8-10-29(11-9-19)15(2)31/h4-7,12-14,19H,3,8-11H2,1-2H3,(H2,25,26,27)
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n/an/a 1.60E+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))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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 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))
BDBM50389714
PNG
(CHEMBL2070082)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H30N6O/c1-3-30-11-9-17(10-12-30)15-31-25-22(24(26)27-16-28-25)23(29-31)20-6-5-19-14-21(32-4-2)8-7-18(19)13-20/h5-8,13-14,16-17H,3-4,9-12,15H2,1-2H3,(H2,26,27,28)
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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 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))
BDBM50389717
PNG
(CHEMBL2070085)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-2-31-20-6-5-17-13-19(4-3-18(17)14-20)22-21-23(25)27-15-28-24(21)30(29-22)12-9-16-7-10-26-11-8-16/h3-6,13-16,26H,2,7-12H2,1H3,(H2,25,27,28)
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n/an/a 3.30E+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))
BDBM50389718
PNG
(CHEMBL2070086)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H30N6O/c1-3-32-21-7-6-18-14-20(5-4-19(18)15-21)23-22-24(26)27-16-28-25(22)31(29-23)13-10-17-8-11-30(2)12-9-17/h4-7,14-17H,3,8-13H2,1-2H3,(H2,26,27,28)
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n/an/a 5.20E+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))
BDBM50389719
PNG
(CHEMBL2070087)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(CC)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O/c1-3-31-12-9-18(10-13-31)11-14-32-26-23(25(27)28-17-29-26)24(30-32)21-6-5-20-16-22(33-4-2)8-7-19(20)15-21/h5-8,15-18H,3-4,9-14H2,1-2H3,(H2,27,28,29)
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n/an/a 6.30E+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))
BDBM50389720
PNG
(CHEMBL2070088)
Show SMILES CCCN1CCC(CCn2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C27H34N6O/c1-3-12-32-13-9-19(10-14-32)11-15-33-27-24(26(28)29-18-30-27)25(31-33)22-6-5-21-17-23(34-4-2)8-7-20(21)16-22/h5-8,16-19H,3-4,9-15H2,1-2H3,(H2,28,29,30)
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n/an/a 6.70E+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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a 3n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

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 US9518026 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

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 US9518026 (2016)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 3.80n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 3.5n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a>2.00E+4n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a>2.00E+4n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389708
PNG
(CHEMBL2070074 | US9765037, Compound 138)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-2-29-18-6-5-14-11-16(4-3-15(14)12-18)20-19-21(23)25-13-26-22(19)28(27-20)17-7-9-24-10-8-17/h3-6,11-13,17,24H,2,7-10H2,1H3,(H2,23,25,26)
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n/an/a 5.02E+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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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 5.58E+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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389709
PNG
(CHEMBL2070076 | US9765037, Compound 149)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CC)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-29-11-9-19(10-12-29)30-24-21(23(25)26-15-27-24)22(28-30)18-6-5-17-14-20(31-4-2)8-7-16(17)13-18/h5-8,13-15,19H,3-4,9-12H2,1-2H3,(H2,25,26,27)
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n/an/a 8.68E+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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389704
PNG
(CHEMBL2070081 | US9518026, Example 9 | US9765037, ...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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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 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
Calcium-dependent protein kinase 4


(Plasmodium falciparum (isolate 3D7))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametes


Bioorg Med Chem Lett 22: 6788-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.044
BindingDB Entry DOI: 10.7270/Q26H4JJZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50389703
PNG
(CHEMBL2070075 | US9765037, Compound 148)
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