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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase FRK'   
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-protein kinase FRK


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.72E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(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 2.20n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FRK


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-protein kinase FRK


(Homo sapiens (Human))
BDBM50184786
PNG
(CHEMBL3824116 | US10294227, Code 565)
Show SMILES COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C27H39N7O3/c1-27(2,3)37-22(35)16-18-7-8-19(15-21(18)36-6)24-23-25(28)29-17-30-26(23)34(31-24)14-13-33-11-9-20(10-12-33)32(4)5/h7-8,15,17,20H,9-14,16H2,1-6H3,(H2,28,29,30)
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n/an/a<10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184776
PNG
(CHEMBL3824233 | US10294227, Code 518)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)39-27(37)32-21-8-7-19(17-22(21)38-4)24-23-25(29)30-18-31-26(23)36(33-24)16-15-34-13-9-20(10-14-34)35-11-5-6-12-35/h7-8,17-18,20H,5-6,9-16H2,1-4H3,(H,32,37)(H2,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387846
PNG
(US10294227, Code 503)
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n/an/a<10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387836
PNG
(US10294227, Code 585 | tert-butyl N-[4-[4-amino-1-...)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184767
PNG
(CHEMBL3824089 | US10294227, Code 506)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184767
PNG
(CHEMBL3824089 | US10294227, Code 506)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184776
PNG
(CHEMBL3824233 | US10294227, Code 518)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)39-27(37)32-21-8-7-19(17-22(21)38-4)24-23-25(29)30-18-31-26(23)36(33-24)16-15-34-13-9-20(10-14-34)35-11-5-6-12-35/h7-8,17-18,20H,5-6,9-16H2,1-4H3,(H,32,37)(H2,29,30,31)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184777
PNG
(CHEMBL3823104 | US10294227, Code 519)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C29H42N8O3/c1-29(2,3)40-28(38)33-22-9-8-20(18-23(22)39-4)25-24-26(30)31-19-32-27(24)37(34-25)17-16-35-14-10-21(11-15-35)36-12-6-5-7-13-36/h8-9,18-19,21H,5-7,10-17H2,1-4H3,(H,33,38)(H2,30,31,32)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184777
PNG
(CHEMBL3823104 | US10294227, Code 519)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C29H42N8O3/c1-29(2,3)40-28(38)33-22-9-8-20(18-23(22)39-4)25-24-26(30)31-19-32-27(24)37(34-25)17-16-35-14-10-21(11-15-35)36-12-6-5-7-13-36/h8-9,18-19,21H,5-7,10-17H2,1-4H3,(H,33,38)(H2,30,31,32)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
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n/an/a 19n/an/an/an/an/an/a



Kalypsys, Inc.





Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(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 41n/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 Frk


J Med Chem 58: 5437-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00734
BindingDB Entry DOI: 10.7270/Q25B047D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(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 |r|
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 53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184785
PNG
(CHEMBL3823620 | US10294227, Code 553)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C26H37N7O2/c1-26(2,3)35-21(34)16-18-6-8-19(9-7-18)23-22-24(27)28-17-29-25(22)33(30-23)15-14-32-12-10-20(11-13-32)31(4)5/h6-9,17,20H,10-16H2,1-5H3,(H2,27,28,29)
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n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184785
PNG
(CHEMBL3823620 | US10294227, Code 553)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C26H37N7O2/c1-26(2,3)35-21(34)16-18-6-8-19(9-7-18)23-22-24(27)28-17-29-25(22)33(30-23)15-14-32-12-10-20(11-13-32)31(4)5/h6-9,17,20H,10-16H2,1-5H3,(H2,27,28,29)
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n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 62n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant FRK expressed in baculovirus using Fluorescein-Poly GT as substrate


J Med Chem 59: 3886-905 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50269558
PNG
(CHEMBL4077588)
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n/an/a 85n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50269555
PNG
(CHEMBL4060757)
PDB
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n/an/a 132n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM267959
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 151n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM267935
PNG
(4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imi...)
Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 214n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50269557
PNG
(CHEMBL4069387)
PDB
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n/an/a 472n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50269615
PNG
(CHEMBL4095253)
PDB
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n/an/a 510n/an/an/an/an/an/a



State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, Sichuan 610041, PR China.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 4171-4175 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.009
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387854
PNG
(US10294227, Code 584)
PDB
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184782
PNG
(CHEMBL3824228 | US10294227, Code 543)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H36N8O2/c1-25(2,3)35-24(34)29-18-8-6-17(7-9-18)21-20-22(26)27-16-28-23(20)33(30-21)15-14-32-12-10-19(11-13-32)31(4)5/h6-9,16,19H,10-15H2,1-5H3,(H,29,34)(H2,26,27,28)
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212 | US10294227, Code 109)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184766
PNG
(CHEMBL3823861 | US10294227, Code 221)
Show SMILES CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H29N9/c1-29(2)13-15-4-7-30(8-5-15)9-10-31-22-18(20(23)26-14-27-22)19(28-31)17-11-16-3-6-24-21(16)25-12-17/h3,6,11-12,14-15H,4-5,7-10,13H2,1-2H3,(H,24,25)(H2,23,26,27)
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387845
PNG
(US10294227, Code 402)
PDB
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184781
PNG
(CHEMBL3823543 | US10294227, Code 533)
Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C28H36N8O/c1-34(2)22-11-13-35(14-12-22)15-16-36-28-25(27(29)31-19-32-28)26(33-36)21-9-10-23(24(17-21)37-3)30-18-20-7-5-4-6-8-20/h4-10,17,19,22,30H,11-16,18H2,1-3H3,(H2,29,31,32)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184781
PNG
(CHEMBL3823543 | US10294227, Code 533)
Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C28H36N8O/c1-34(2)22-11-13-35(14-12-22)15-16-36-28-25(27(29)31-19-32-28)26(33-36)21-9-10-23(24(17-21)37-3)30-18-20-7-5-4-6-8-20/h4-10,17,19,22,30H,11-16,18H2,1-3H3,(H2,29,31,32)
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 611n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FRK relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50269556
PNG
(CHEMBL4075954)
PDB
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n/an/a 706n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184772
PNG
(CHEMBL3822591 | US10294227, Code 113)
Show SMILES CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H33N7/c1-17-4-6-19(7-5-17)21-20-22(24)25-16-26-23(20)30(27-21)15-14-29-12-9-18(10-13-29)8-11-28(2)3/h4-7,16,18H,8-15H2,1-3H3,(H2,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387840
PNG
(US10294227, Code 105)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184784
PNG
(CHEMBL3824021 | US10294227, Code 556)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H29N7O2/c1-27(2)17-7-9-28(10-8-17)11-12-29-22-19(21(23)24-14-25-22)20(26-29)16-5-3-15(4-6-16)13-18(30)31/h3-6,14,17H,7-13H2,1-2H3,(H,30,31)(H2,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184780
PNG
(CHEMBL3823255 | US10294227, Code 526)
Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184770
PNG
(CHEMBL3823849 | US10294227, Code 112)
Show SMILES CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C22H31N7/c1-16-4-6-18(7-5-16)20-19-21(23)24-15-25-22(19)29(26-20)13-12-28-10-8-17(9-11-28)14-27(2)3/h4-7,15,17H,8-14H2,1-3H3,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50184778
PNG
(CHEMBL3823711 | US10294227, Code 540)
Show SMILES COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H39N9O2/c1-26(2,3)31-25(36)30-19-8-7-17(15-20(19)37-6)22-21-23(27)28-16-29-24(21)35(32-22)14-13-34-11-9-18(10-12-34)33(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H2,27,28,29)(H2,30,31,36)
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Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM387839
PNG
(US10294227, Code 103)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.





Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of FRK


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate


Bioorg Med Chem 24: 521-44 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FRK kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FRK kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FRK kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM32362
PNG
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FRK kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 750n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FRK kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
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