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Compile Data Set for Download or QSAR

Found 486 hits of ic50 data for polymerid = 5516   
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 kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204580
PNG
(CHEMBL247667 | N-phenethyl-5-phenyl-6-(4-(2-(pyrro...)
Show SMILES C(Cc1ccccc1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50246164
PNG
(CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12
Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29)
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n/an/a 2n/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)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TNK2


Leukemia 23: 477-85 (2009)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2.70n/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)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204590
PNG
((S)-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-5...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)CC1
Show InChI InChI=1S/C29H33N5O2/c1-33-13-15-34(16-14-33)19-21-9-11-23(12-10-21)27-25(22-6-3-2-4-7-22)26-28(31-20-32-29(26)36-27)30-18-24-8-5-17-35-24/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,30,31,32)/t24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421257
PNG
(CHEMBL2087875)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32)
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n/an/a 10n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)

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)

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)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
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n/an/a 11n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TNK2 by LanthaScreen Binding assay


J Med Chem 58: 5437-44 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204583
PNG
((S)-(4-ethylpiperazin-1-yl)(4-(5-phenyl-4-((tetrah...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C30H33N5O3/c1-2-34-14-16-35(17-15-34)30(36)23-12-10-22(11-13-23)27-25(21-7-4-3-5-8-21)26-28(32-20-33-29(26)38-27)31-19-24-9-6-18-37-24/h3-5,7-8,10-13,20,24H,2,6,9,14-19H2,1H3,(H,31,32,33)/t24-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204585
PNG
((S)-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)pheny...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C29H32N4O3/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-34-24)31-20-32-29(26)36-27(25)22-10-12-23(13-11-22)35-18-16-33-14-4-5-15-33/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H,30,31,32)/t24-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204576
PNG
(6-(4-morpholinophenyl)-5-phenyl-N-(2-(piperazin-1-...)
Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50018830
PNG
(CHEMBL3286830)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNK2 (unknown origin) by TR-FRET-based Z'-LYTE assay


J Med Chem 57: 4720-44 (2014)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM17723
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 19 | 3-phen...)
Show SMILES C(Cc1cccnc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H34N4O2/c1-3-9-26(10-4-1)30-31-29(35-18-15-25-8-7-17-34-24-25)16-19-36-33(31)39-32(30)27-11-13-28(14-12-27)38-23-22-37-20-5-2-6-21-37/h1,3-4,7-14,16-17,19,24H,2,5-6,15,18,20-23H2,(H,35,36)
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50246162
PNG
(CHEMBL472392 | N3-(2,6-dimethylphenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34)
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50245853
PNG
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36)
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n/an/a 20n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204589
PNG
((S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)
Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98297
PNG
(US8481733, 109)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12
Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 28n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084463
PNG
(CHEMBL3426880)
Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C30H35ClFN7O3/c1-2-5-26(40)39-15-13-38(14-16-39)21-11-9-20(10-12-21)35-30-34-19-23(28(37-30)33-18-22-6-4-17-42-22)29(41)36-27-24(31)7-3-8-25(27)32/h3,7-12,19,22H,2,4-6,13-18H2,1H3,(H,36,41)(H2,33,34,35,37)
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n/an/a 28n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98295
PNG
(US8481733, 107)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12
Show InChI InChI=1S/C25H24N4O3/c1-25(31)13-17(14-25)24-28-20(21-23(26)27-10-11-29(21)24)16-8-9-18(19(12-16)32-2)22(30)15-6-4-3-5-7-15/h3-12,17,31H,13-14H2,1-2H3,(H2,26,27)/t17-,25+
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n/an/a 29n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98411
PNG
(US8481733, 223)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc(-c2ccc(cc2)N2CCN(C)CC2)n2ccnc(N)c12
Show InChI InChI=1S/C31H30N6O2/c1-35-16-18-36(19-17-35)24-11-8-22(9-12-24)31-34-27(28-30(32)33-14-15-37(28)31)23-10-13-25(26(20-23)39-2)29(38)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H2,32,33)
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n/an/a 30n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98293
PNG
(US8481733, 105)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 30n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084454
PNG
(CHEMBL3426870)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCC1CCCO1
Show InChI InChI=1S/C26H29ClFN7O2/c27-21-4-1-5-22(28)23(21)33-25(36)20-16-31-26(34-24(20)30-15-19-3-2-14-37-19)32-17-6-8-18(9-7-17)35-12-10-29-11-13-35/h1,4-9,16,19,29H,2-3,10-15H2,(H,33,36)(H2,30,31,32,34)
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n/an/a 33n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50379214
PNG
(CHEMBL2011291 | US9416123, 6)
Show SMILES Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2
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n/an/a 33n/an/an/an/an/an/a



Synovo GmbH

US Patent


Assay Description
FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084462
PNG
(CHEMBL3426879)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C28H30ClFN6O4/c29-22-4-1-5-23(30)24(22)34-26(37)21-16-32-28(35-25(21)31-15-20-3-2-14-40-20)33-18-6-8-19(9-7-18)36-12-10-17(11-13-36)27(38)39/h1,4-9,16-17,20H,2-3,10-15H2,(H,34,37)(H,38,39)(H2,31,32,33,35)
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n/an/a 34n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98282
PNG
(US8481733, 94)
Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12
Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+
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n/an/a 35n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98282
PNG
(US8481733, 94)
Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12
Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+
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n/an/a 35n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of ACK1 kinase (unknown origin) by cell-based assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98237
PNG
(US8481733, 49)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C24H22N4O2/c1-30-19-14-17(10-11-18(19)22(29)15-6-3-2-4-7-15)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26)
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n/an/a 35.2n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98449
PNG
(US8481733, 261)
Show SMILES Nc1cc(ccc1C(=O)c1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H21N5O/c24-18-13-16(9-10-17(18)21(29)14-5-2-1-3-6-14)19-20-22(25)26-11-12-28(20)23(27-19)15-7-4-8-15/h1-3,5-6,9-13,15H,4,7-8,24H2,(H2,25,26)
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n/an/a 36.9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50204586
PNG
(6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...)
Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C31H36N4O4/c1-36-26-19-23(12-13-25(26)38-18-16-35-14-6-3-7-15-35)29-27(22-9-4-2-5-10-22)28-30(33-21-34-31(28)39-29)32-20-24-11-8-17-37-24/h2,4-5,9-10,12-13,19,21,24H,3,6-8,11,14-18,20H2,1H3,(H,32,33,34)/t24-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ack1


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

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACK1


J Med Chem 55: 4580-93 (2012)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98341
PNG
(US8481733, 219)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H27N5O2/c1-32(2)18-19-34-22-12-10-21(11-13-22)28-31-25(26-27(29)30-16-17-33(26)28)20-8-14-24(15-9-20)35-23-6-4-3-5-7-23/h3-17H,18-19H2,1-2H3,(H2,29,30)
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n/an/a 43.9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98208
PNG
(US8481733, 20)
Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25)
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n/an/a 48n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084457
PNG
(CHEMBL3426873)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C27H31ClFN7O2/c1-35-11-13-36(14-12-35)19-9-7-18(8-10-19)32-27-31-17-21(25(34-27)30-16-20-4-3-15-38-20)26(37)33-24-22(28)5-2-6-23(24)29/h2,5-10,17,20H,3-4,11-16H2,1H3,(H,33,37)(H2,30,31,32,34)
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n/an/a 48n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084456
PNG
(CHEMBL3426872)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C20H27BrN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084451
PNG
(CHEMBL3426867)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCC1CCCO1
Show InChI InChI=1S/C26H28ClFN6O3/c27-21-4-1-5-22(28)23(21)32-25(35)20-16-30-26(33-24(20)29-15-19-3-2-12-37-19)31-17-6-8-18(9-7-17)34-10-13-36-14-11-34/h1,4-9,16,19H,2-3,10-15H2,(H,32,35)(H2,29,30,31,33)
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n/an/a 48n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98208
PNG
(US8481733, 20)
Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25)
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n/an/a 48.7n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98450
PNG
(US8481733, 262)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(N)c2)c2c(N)nccn12
Show InChI InChI=1S/C24H23N5O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13,25H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 50n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98200
PNG
(US8481733, 11)
Show SMILES Nc1nccn2c(nc(-c3ccc(OC4CCCCO4)cc3)c12)[C@@H]1C[C@H](O)C1
Show InChI InChI=1S/C21H24N4O3/c22-20-19-18(24-21(14-11-15(26)12-14)25(19)9-8-23-20)13-4-6-16(7-5-13)28-17-3-1-2-10-27-17/h4-9,14-15,17,26H,1-3,10-12H2,(H2,22,23)/t14-,15+,17?
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n/an/a 50n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98296
PNG
(US8481733, 108)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12
Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+
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n/an/a 51n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084460
PNG
(CHEMBL3426876)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)C2CCNCC2)nc1NCC1CCCO1
Show InChI InChI=1S/C27H30ClFN6O2/c28-22-4-1-5-23(29)24(22)34-26(36)21-16-32-27(35-25(21)31-15-20-3-2-14-37-20)33-19-8-6-17(7-9-19)18-10-12-30-13-11-18/h1,4-9,16,18,20,30H,2-3,10-15H2,(H,34,36)(H2,31,32,33,35)
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n/an/a 53n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084455
PNG
(CHEMBL3426871)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)
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n/an/a 54n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084447
PNG
(CHEMBL3426861)
Show SMILES Oc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1S/C22H21ClFN5O3/c23-17-4-1-5-18(24)19(17)28-21(31)16-12-26-22(27-13-6-8-14(30)9-7-13)29-20(16)25-11-15-3-2-10-32-15/h1,4-9,12,15,30H,2-3,10-11H2,(H,28,31)(H2,25,26,27,29)
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n/an/a 54n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50084464
PNG
(CHEMBL3426891)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1
Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
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n/an/a 56n/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)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98283
PNG
(US8481733, 95)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Cc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C24H24N4O/c1-24(29)14-19(15-24)23-27-20(21-22(25)26-11-12-28(21)23)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,19,29H,13-15H2,1H3,(H2,25,26)/t19-,24+
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n/an/a 58n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay


Bioorg Med Chem Lett 23: 979-84 (2013)

More data for this
Ligand-Target Pair
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