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Compile Data Set for Download or QSAR

Found 480 hits of ic50 data for polymerid = 5516   
Target
(Institution)
LigandTarget
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
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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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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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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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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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine Kinase ACK1


(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/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...


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084454
PNG
(CHEMBL3426870)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCC1CCCO1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084456
PNG
(CHEMBL3426872)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Br)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084457
PNG
(CHEMBL3426873)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084451
PNG
(CHEMBL3426867)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCC1CCCO1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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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US Patent
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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084460
PNG
(CHEMBL3426876)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(cc2)C2CCNCC2)nc1NCC1CCCO1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084455
PNG
(CHEMBL3426871)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084447
PNG
(CHEMBL3426861)
Show SMILES Oc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1
Show InChI InChI=1/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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM50084464
PNG
(CHEMBL3426891)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1
Show InChI InChI=1/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-/s2
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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)


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1 (ACK1)


(Homo sapiens (Human))
BDBM98274
PNG
(US8481733, 86)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)c(O)c3)c12)C1CCC1
Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(14-5-4-6-14)26(20)12-11-24-21)15-9-10-18(17(27)13-15)28-16-7-2-1-3-8-16/h1-3,7-14,27H,4-6H2,(H2,23,24)
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US Patent
n/an/a 58.9n/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.


US Patent US8481733 (2013)

More data for this
Ligand-Target Pair
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