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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 370.4
BDBM17715
Wt: 458.5
BDBM50204587
Wt: 460.5
BDBM50421259
Wt: 457.5
BDBM50421262
Wt: 370.4
BDBM50421271
Wt: 401.4
BDBM50421272
Wt: 400.4
BDBM50421273
Wt: 449.5
BDBM50421274
Wt: 448.5
BDBM50421275
Wt: 457.5
BDBM50421279
Wt: 442.5
BDBM50421285
Wt: 441.5
BDBM50421286
Wt: 427.4
BDBM50421287
Wt: 447.5
BDBM50421291
Wt: 428.4
BDBM50421294
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 38 hits in this display   
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
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421286
PNG
(CHEMBL2087662)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c1-31(2)26(32)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)30-23)27-15-20-9-6-14-33-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,27,28,29,30)/t20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421287
PNG
(CHEMBL2087664)
Show SMILES CNC(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-26-25(31)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-24(21)30-22)27-14-19-8-5-13-32-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,31)(H2,27,28,29,30)/t19-/m0/s1
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421272
PNG
(CHEMBL2087648)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H23N3O3/c1-28-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)30-22)25-14-19-8-5-13-29-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,25,26,27)/t19-/m0/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421271
PNG
(CHEMBL2087647)
Show SMILES C(Nc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421273
PNG
(CHEMBL2087649)
Show SMILES COc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-29-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-19-8-5-13-30-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t19-/m0/s1
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421279
PNG
(CHEMBL2087655)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-16-34-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)31-25)28-17-22-9-6-15-33-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H2,28,29,30,31)/t22-/m0/s1
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421275
PNG
(CHEMBL2087651)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H24N4O3S/c1-32(29,30)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t18-/m0/s1
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421274
PNG
(CHEMBL2087650)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H23N3O4S/c1-32(28,29)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)31-22)25-14-18-8-5-13-30-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H,25,26,27)/t18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421285
PNG
(CHEMBL2087661)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-30(2)26(31)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)33-23)27-15-20-9-6-14-32-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,27,28,29)/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421294
PNG
(CHEMBL2087663)
Show SMILES CNC(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c1-26-24(30)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-25(21)32-22)27-14-19-8-5-13-31-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,30)(H,27,28,29)/t19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421259
PNG
(CHEMBL2087877)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3OCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H28N4O4/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)34-24)27-16-21-32-14-15-33-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29)
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421291
PNG
(CHEMBL2087668)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1C1=CCCC1
Show InChI InChI=1S/C26H33N5O2/c1-31(2)13-15-33-20-11-9-19(10-12-20)24-22(18-6-3-4-7-18)23-25(28-17-29-26(23)30-24)27-16-21-8-5-14-32-21/h6,9-12,17,21H,3-5,7-8,13-16H2,1-2H3,(H2,27,28,29,30)/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421262
PNG
(CHEMBL2087880)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1
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30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)


Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 17: 2305-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of ACK1 kinase (unknown origin)


J Med Chem 58: 2746-63 (2015)


Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


Bioorg Med Chem Lett 17: 2305-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421286
PNG
(CHEMBL2087662)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c1-31(2)26(32)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)30-23)27-15-20-9-6-14-33-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,27,28,29,30)/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421279
PNG
(CHEMBL2087655)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-16-34-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)31-25)28-17-22-9-6-15-33-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H2,28,29,30,31)/t22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50204587
PNG
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421287
PNG
(CHEMBL2087664)
Show SMILES CNC(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-26-25(31)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-24(21)30-22)27-14-19-8-5-13-32-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,31)(H2,27,28,29,30)/t19-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421275
PNG
(CHEMBL2087651)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H24N4O3S/c1-32(29,30)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421285
PNG
(CHEMBL2087661)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-30(2)26(31)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)33-23)27-15-20-9-6-14-32-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,27,28,29)/t20-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421291
PNG
(CHEMBL2087668)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1C1=CCCC1
Show InChI InChI=1S/C26H33N5O2/c1-31(2)13-15-33-20-11-9-19(10-12-20)24-22(18-6-3-4-7-18)23-25(28-17-29-26(23)30-24)27-16-21-8-5-14-32-21/h6,9-12,17,21H,3-5,7-8,13-16H2,1-2H3,(H2,27,28,29,30)/t21-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421274
PNG
(CHEMBL2087650)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H23N3O4S/c1-32(28,29)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)31-22)25-14-18-8-5-13-30-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H,25,26,27)/t18-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421273
PNG
(CHEMBL2087649)
Show SMILES COc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-29-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-19-8-5-13-30-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t19-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421262
PNG
(CHEMBL2087880)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421272
PNG
(CHEMBL2087648)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H23N3O3/c1-28-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)30-22)25-14-19-8-5-13-29-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,25,26,27)/t19-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421271
PNG
(CHEMBL2087647)
Show SMILES C(Nc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421259
PNG
(CHEMBL2087877)
Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3OCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H28N4O4/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)34-24)27-16-21-32-14-15-33-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421294
PNG
(CHEMBL2087663)
Show SMILES CNC(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c1-26-24(30)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-25(21)32-22)27-14-19-8-5-13-31-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,30)(H,27,28,29)/t19-/m0/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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n/an/a 2.10E+3n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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n/an/a 4.20E+3n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM17715
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)
Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair