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Compile Data Set for Download or QSAR

Found 852 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1'   
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))
BDBM419721
PNG
(US10464919, Example 59)
Show SMILES [O-][N+](=O)c1ccc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(F)c1
Show InChI InChI=1S/C23H24FN5O3/c24-19-13-16(29(31)32)4-6-21(19)28-10-8-27(9-11-28)14-15-3-5-17-20(12-15)26-23(30)18-2-1-7-25-22(17)18/h3-6,12-13,25H,1-2,7-11,14H2,(H,26,30)
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n/an/a 0.920n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419799
PNG
(US10464919, Example 137)
Show SMILES COc1cc(ncc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H26N6O2/c1-32-21-12-22(27-14-17(21)13-25)30-9-7-29(8-10-30)15-16-4-5-18-20(11-16)28-24(31)19-3-2-6-26-23(18)19/h4-5,11-12,14,26H,2-3,6-10,15H2,1H3,(H,28,31)
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n/an/a 0.950n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

More data for this
Ligand-Target Pair
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)


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))
BDBM419844
PNG
(US10464919, Example 182)
Show SMILES Fc1cc(CN2CCN(CC2)c2ccc(nn2)C#N)cc2[nH]c(=O)c3CCCNc3c12
Show InChI InChI=1S/C22H22FN7O/c23-17-10-14(11-18-20(17)21-16(22(31)26-18)2-1-5-25-21)13-29-6-8-30(9-7-29)19-4-3-15(12-24)27-28-19/h3-4,10-11,25H,1-2,5-9,13H2,(H,26,31)
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n/an/a 1.26n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419794
PNG
(US10464919, Example 132)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc(nn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C22H23N7O/c23-13-16-4-6-20(27-26-16)29-10-8-28(9-11-29)14-15-3-5-17-19(12-15)25-22(30)18-2-1-7-24-21(17)18/h3-6,12,24H,1-2,7-11,14H2,(H,25,30)
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n/an/a 1.31n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419731
PNG
(US10464919, Example 69)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H30FN5O2/c28-22-15-18(26(34)30-19-5-6-19)4-8-24(22)33-12-10-32(11-13-33)16-17-3-7-20-23(14-17)31-27(35)21-2-1-9-29-25(20)21/h3-4,7-8,14-15,19,29H,1-2,5-6,9-13,16H2,(H,30,34)(H,31,35)
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n/an/a 1.32n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419781
PNG
(US10464919, Example 119)
Show SMILES [O-][N+](=O)c1ccc(cc1F)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H24FN5O3/c24-19-13-16(4-6-21(19)29(31)32)28-10-8-27(9-11-28)14-15-3-5-17-20(12-15)26-23(30)18-2-1-7-25-22(17)18/h3-6,12-13,25H,1-2,7-11,14H2,(H,26,30)
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n/an/a 1.38n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419751
PNG
(US10464919, Example 89)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc(cn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C23H24N6O/c24-13-17-4-6-21(26-14-17)29-10-8-28(9-11-29)15-16-3-5-18-20(12-16)27-23(30)19-2-1-7-25-22(18)19/h3-6,12,14,25H,1-2,7-11,15H2,(H,27,30)
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n/an/a 1.48n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419791
PNG
(US10464919, Example 129)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3cnc(cn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C22H23N7O/c23-11-16-12-26-20(13-25-16)29-8-6-28(7-9-29)14-15-3-4-17-19(10-15)27-22(30)18-2-1-5-24-21(17)18/h3-4,10,12-13,24H,1-2,5-9,14H2,(H,27,30)
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n/an/a 1.65n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419797
PNG
(US10464919, Example 135)
Show SMILES Clc1cc(ncc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-11-21(27-13-16(19)12-25)30-8-6-29(7-9-30)14-15-3-4-17-20(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
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n/an/a 1.75n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419758
PNG
(US10464919, Example 96)
Show SMILES CCNC(=O)c1ccc(nc1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30N6O2/c1-2-26-24(32)18-6-8-22(28-15-18)31-12-10-30(11-13-31)16-17-5-7-19-21(14-17)29-25(33)20-4-3-9-27-23(19)20/h5-8,14-15,27H,2-4,9-13,16H2,1H3,(H,26,32)(H,29,33)
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n/an/a 1.75n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419740
PNG
(US10464919, Example 78)
Show SMILES Fc1cc(ccc1C(=O)NC1CC1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C27H30FN5O2/c28-23-15-19(6-8-20(23)26(34)30-18-4-5-18)33-12-10-32(11-13-33)16-17-3-7-21-24(14-17)31-27(35)22-2-1-9-29-25(21)22/h3,6-8,14-15,18,29H,1-2,4-5,9-13,16H2,(H,30,34)(H,31,35)
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n/an/a 1.87n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419832
PNG
(US10464919, Example 170)
Show SMILES Fc1cc(CN2CCN(CC2)c2ccc(cn2)C#N)cc2[nH]c(=O)c3CCCNc3c12
Show InChI InChI=1S/C23H23FN6O/c24-18-10-16(11-19-21(18)22-17(23(31)28-19)2-1-5-26-22)14-29-6-8-30(9-7-29)20-4-3-15(12-25)13-27-20/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
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n/an/a 1.96n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419755
PNG
(US10464919, Example 93)
Show SMILES Clc1ccc(nn1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C21H23ClN6O/c22-18-5-6-19(26-25-18)28-10-8-27(9-11-28)13-14-3-4-15-17(12-14)24-21(29)16-2-1-7-23-20(15)16/h3-6,12,23H,1-2,7-11,13H2,(H,24,29)
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n/an/a 1.97n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419761
PNG
(US10464919, Example 99)
Show SMILES CCOC(=O)c1csc(n1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H27N5O3S/c1-2-31-22(30)19-14-32-23(26-19)28-10-8-27(9-11-28)13-15-5-6-16-18(12-15)25-21(29)17-4-3-7-24-20(16)17/h5-6,12,14,24H,2-4,7-11,13H2,1H3,(H,25,29)
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n/an/a 1.99n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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)


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))
BDBM419765
PNG
(US10464919, Example 103)
Show SMILES Fc1cc(ccc1C#N)N1C[C@@H]2C[C@H]1CN2Cc1ccc2c3NCCCc3c(=O)[nH]c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-10-17(5-4-16(22)11-27)31-14-18-9-19(31)13-30(18)12-15-3-6-20-23(8-15)29-25(32)21-2-1-7-28-24(20)21/h3-6,8,10,18-19,28H,1-2,7,9,12-14H2,(H,29,32)/t18-,19-/s2
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n/an/a 2.10n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419842
PNG
(US10464919, Example 180)
Show SMILES Fc1cc(CN2CCN(CC2)c2ccc(nc2)C#N)cc2[nH]c(=O)c3CCCNc3c12
Show InChI InChI=1S/C23H23FN6O/c24-19-10-15(11-20-21(19)22-18(23(31)28-20)2-1-5-26-22)14-29-6-8-30(9-7-29)17-4-3-16(12-25)27-13-17/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
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n/an/a 2.12n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419784
PNG
(US10464919, Example 122)
Show SMILES CS(=O)(=O)c1ccc(nc1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H27N5O3S/c1-32(30,31)17-5-7-21(25-14-17)28-11-9-27(10-12-28)15-16-4-6-18-20(13-16)26-23(29)19-3-2-8-24-22(18)19/h4-7,13-14,24H,2-3,8-12,15H2,1H3,(H,26,29)
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n/an/a 2.37n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419785
PNG
(US10464919, Example 123)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc(nc3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C23H24N6O/c24-13-17-4-5-18(14-26-17)29-10-8-28(9-11-29)15-16-3-6-19-21(12-16)27-23(30)20-2-1-7-25-22(19)20/h3-6,12,14,25H,1-2,7-11,15H2,(H,27,30)
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n/an/a 2.38n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419804
PNG
(US10464919, Example 142)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ncc(s3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C21H22N6OS/c22-11-15-12-24-21(29-15)27-8-6-26(7-9-27)13-14-3-4-16-18(10-14)25-20(28)17-2-1-5-23-19(16)17/h3-4,10,12,23H,1-2,5-9,13H2,(H,25,28)
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n/an/a 2.45n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419803
PNG
(US10464919, Example 141)
Show SMILES CCOC(=O)c1cnc(s1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H27N5O3S/c1-2-31-22(30)19-13-25-23(32-19)28-10-8-27(9-11-28)14-15-5-6-16-18(12-15)26-21(29)17-4-3-7-24-20(16)17/h5-6,12-13,24H,2-4,7-11,14H2,1H3,(H,26,29)
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n/an/a 2.62n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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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CHEBI
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Article
PubMed
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)


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))
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)


Article DOI: 10.1038/leu.2008.334
BindingDB Entry DOI: 10.7270/Q22Z15R6
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM419796
PNG
(US10464919, Example 134)
Show SMILES Clc1cc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(cn1)C#N
Show InChI InChI=1S/C23H23ClN6O/c24-21-11-20(16(12-25)13-27-21)30-8-6-29(7-9-30)14-15-3-4-17-19(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
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n/an/a 2.70n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419793
PNG
(US10464919, Example 131)
Show SMILES COc1ccc(nn1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H26N6O2/c1-30-20-7-6-19(25-26-20)28-11-9-27(10-12-28)14-15-4-5-16-18(13-15)24-22(29)17-3-2-8-23-21(16)17/h4-7,13,23H,2-3,8-12,14H2,1H3,(H,24,29)
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n/an/a 2.81n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419738
PNG
(US10464919, Example 76)
Show SMILES CNC(=O)c1ccc(cc1F)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H28FN5O2/c1-27-24(32)18-7-5-17(14-21(18)26)31-11-9-30(10-12-31)15-16-4-6-19-22(13-16)29-25(33)20-3-2-8-28-23(19)20/h4-7,13-14,28H,2-3,8-12,15H2,1H3,(H,27,32)(H,29,33)
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n/an/a 2.86n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419787
PNG
(US10464919, Example 125)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ncccc3C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C23H24N6O/c24-14-17-3-1-8-26-22(17)29-11-9-28(10-12-29)15-16-5-6-18-20(13-16)27-23(30)19-4-2-7-25-21(18)19/h1,3,5-6,8,13,25H,2,4,7,9-12,15H2,(H,27,30)
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n/an/a 3.18n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419807
PNG
(US10464919, Example 145)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3nc(ns3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C20H21N7OS/c21-11-17-24-20(29-25-17)27-8-6-26(7-9-27)12-13-3-4-14-16(10-13)23-19(28)15-2-1-5-22-18(14)15/h3-4,10,22H,1-2,5-9,12H2,(H,23,28)
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n/an/a 3.24n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419726
PNG
(US10464919, Example 64)
Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(C)c1
Show InChI InChI=1S/C27H33N5O2/c1-3-28-26(33)20-7-9-24(18(2)15-20)32-13-11-31(12-14-32)17-19-6-8-21-23(16-19)30-27(34)22-5-4-10-29-25(21)22/h6-9,15-16,29H,3-5,10-14,17H2,1-2H3,(H,28,33)(H,30,34)
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n/an/a 3.38n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419775
PNG
(US10464919, Example 113)
Show SMILES C[C@H]1CN(CCN1Cc1ccc2c3NCCCc3c(=O)[nH]c2c1)c1ccc(C#N)c(F)c1
Show InChI InChI=1/C25H26FN5O/c1-16-14-31(19-6-5-18(13-27)22(26)12-19)10-9-30(16)15-17-4-7-20-23(11-17)29-25(32)21-3-2-8-28-24(20)21/h4-7,11-12,16,28H,2-3,8-10,14-15H2,1H3,(H,29,32)/t16-/s2
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n/an/a 3.49n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419759
PNG
(US10464919, Example 97)
Show SMILES O=C(NC1CC1)c1ccc(nc1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C26H30N6O2/c33-25(29-19-5-6-19)18-4-8-23(28-15-18)32-12-10-31(11-13-32)16-17-3-7-20-22(14-17)30-26(34)21-2-1-9-27-24(20)21/h3-4,7-8,14-15,19,27H,1-2,5-6,9-13,16H2,(H,29,33)(H,30,34)
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n/an/a 3.70n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419718
PNG
(US10464919, Example 56)
Show SMILES CC(=O)c1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C#N
Show InChI InChI=1S/C26H27N5O2/c1-17(32)22-13-18(15-27)5-7-24(22)31-11-9-30(10-12-31)16-19-4-6-20-23(14-19)29-26(33)21-3-2-8-28-25(20)21/h4-7,13-14,28H,2-3,8-12,16H2,1H3,(H,29,33)
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n/an/a 3.78n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419723
PNG
(US10464919, Example 61)
Show SMILES Clc1cc(ccc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H24ClN5O/c25-21-13-18(5-4-17(21)14-26)30-10-8-29(9-11-30)15-16-3-6-19-22(12-16)28-24(31)20-2-1-7-27-23(19)20/h3-6,12-13,27H,1-2,7-11,15H2,(H,28,31)
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n/an/a 3.80n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419727
PNG
(US10464919, Example 65)
Show SMILES Cc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C28H33N5O2/c1-18-15-20(27(34)30-21-6-7-21)5-9-25(18)33-13-11-32(12-14-33)17-19-4-8-22-24(16-19)31-28(35)23-3-2-10-29-26(22)23/h4-5,8-9,15-16,21,29H,2-3,6-7,10-14,17H2,1H3,(H,30,34)(H,31,35)
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n/an/a 4.20n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419729
PNG
(US10464919, Example 67)
Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(F)c1
Show InChI InChI=1S/C26H30FN5O2/c1-2-28-25(33)18-6-8-23(21(27)15-18)32-12-10-31(11-13-32)16-17-5-7-19-22(14-17)30-26(34)20-4-3-9-29-24(19)20/h5-8,14-15,29H,2-4,9-13,16H2,1H3,(H,28,33)(H,30,34)
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n/an/a 4.36n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419822
PNG
(US10464919, Example 160)
Show SMILES Clc1ccc(nn1)N1CC2CCC(C1)N2Cc1ccc2c3NCCCc3c(=O)[nH]c2c1
Show InChI InChI=1/C23H25ClN6O/c24-20-7-8-21(28-27-20)29-12-15-4-5-16(13-29)30(15)11-14-3-6-17-19(10-14)26-23(31)18-2-1-9-25-22(17)18/h3,6-8,10,15-16,25H,1-2,4-5,9,11-13H2,(H,26,31)
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n/an/a 4.63n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419786
PNG
(US10464919, Example 124)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3cc(ccn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C23H24N6O/c24-14-16-5-7-25-21(13-16)29-10-8-28(9-11-29)15-17-3-4-18-20(12-17)27-23(30)19-2-1-6-26-22(18)19/h3-5,7,12-13,26H,1-2,6,8-11,15H2,(H,27,30)
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n/an/a 4.71n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419782
PNG
(US10464919, Example 120)
Show SMILES Clc1ccc(nc1)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H24ClN5O/c23-16-4-6-20(25-13-16)28-10-8-27(9-11-28)14-15-3-5-17-19(12-15)26-22(29)18-2-1-7-24-21(17)18/h3-6,12-13,24H,1-2,7-11,14H2,(H,26,29)
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n/an/a 4.82n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419725
PNG
(US10464919, Example 63)
Show SMILES Cc1cc(ccc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H27N5O/c1-17-13-20(6-5-19(17)15-26)30-11-9-29(10-12-30)16-18-4-7-21-23(14-18)28-25(31)22-3-2-8-27-24(21)22/h4-7,13-14,27H,2-3,8-12,16H2,1H3,(H,28,31)
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n/an/a 4.96n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Mus musculus)
BDBM50421255
PNG
(CHEMBL2087873)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)
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n/an/a 5n/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
3D
3D Structure (crystal)
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50459203
PNG
(CHEMBL4207036)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1
Show InChI InChI=1S/C35H38F3N9O2/c1-21-6-10-26(41-32(48)23-8-9-24(29(14-23)35(36,37)38)18-46-13-12-28(20-46)44(3)4)15-30(21)47-19-25-16-40-33(43-31(25)45(5)34(47)49)42-27-11-7-22(2)39-17-27/h6-11,14-17,28H,12-13,18-20H2,1-5H3,(H,41,48)(H,40,42,43)
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n/an/a 6n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


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


J Med Chem 61: 8353-8373 (2018)

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


(Homo sapiens (Human))
BDBM419812
PNG
(US10464919, Example 150)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc4cc[nH]c4c3)ccc2c2NCCCc12
Show InChI InChI=1S/C25H27N5O/c31-25-21-2-1-8-27-24(21)20-6-3-17(14-23(20)28-25)16-29-10-12-30(13-11-29)19-5-4-18-7-9-26-22(18)15-19/h3-7,9,14-15,26-27H,1-2,8,10-13,16H2,(H,28,31)
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n/an/a 6.06n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419769
PNG
(US10464919, Example 107)
Show SMILES CC1CN(CCN1Cc1ccc2c3NCCCc3c(=O)[nH]c2c1)c1ccc(cc1F)C#N
Show InChI InChI=1/C25H26FN5O/c1-16-14-31(23-7-5-17(13-27)11-21(23)26)10-9-30(16)15-18-4-6-19-22(12-18)29-25(32)20-3-2-8-28-24(19)20/h4-7,11-12,16,28H,2-3,8-10,14-15H2,1H3,(H,29,32)
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n/an/a 6.21n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419722
PNG
(US10464919, Example 60)
Show SMILES Fc1cc(ccc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H24FN5O/c25-21-13-18(5-4-17(21)14-26)30-10-8-29(9-11-30)15-16-3-6-19-22(12-16)28-24(31)20-2-1-7-27-23(19)20/h3-6,12-13,27H,1-2,7-11,15H2,(H,28,31)
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n/an/a 6.47n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419820
PNG
(US10464919, Example 158)
Show SMILES O=c1[nH]c2cc(CN3C4CCC3CN(C4)c3cnccn3)ccc2c2NCCCc12
Show InChI InChI=1/C23H26N6O/c30-23-19-2-1-7-26-22(19)18-6-3-15(10-20(18)27-23)12-29-16-4-5-17(29)14-28(13-16)21-11-24-8-9-25-21/h3,6,8-11,16-17,26H,1-2,4-5,7,12-14H2,(H,27,30)
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n/an/a 6.59n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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


(Homo sapiens (Human))
BDBM419811
PNG
(US10464919, Example 149)
Show SMILES Cc1noc2ccc(cc12)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H27N5O2/c1-16-21-14-18(5-7-23(21)32-28-16)30-11-9-29(10-12-30)15-17-4-6-19-22(13-17)27-25(31)20-3-2-8-26-24(19)20/h4-7,13-14,26H,2-3,8-12,15H2,1H3,(H,27,31)
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n/an/a 6.99n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

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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Article
PubMed
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)


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))
BDBM50459208
PNG
(CHEMBL4214342)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41)
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n/an/a 8n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


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


J Med Chem 61: 8353-8373 (2018)

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


(Homo sapiens (Human))
BDBM419823
PNG
(US10464919, Example 161)
Show SMILES Fc1cc(ccc1N1C[C@@H]2C[C@H]1CN2Cc1ccc2c3NCCCc3c(=O)[nH]c2c1)C#N
Show InChI InChI=1/C25H24FN5O/c26-21-8-15(11-27)4-6-23(21)31-14-17-10-18(31)13-30(17)12-16-3-5-19-22(9-16)29-25(32)20-2-1-7-28-24(19)20/h3-6,8-9,17-18,28H,1-2,7,10,12-14H2,(H,29,32)/t17-,18-/s2
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n/an/a 8.60n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent




US Patent US10464919 (2019)

More data for this
Ligand-Target Pair
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