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Compile Data Set for Download or QSAR

Found 18 hits of ic50 data for polymerid = 50004224   
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
Leukocyte tyrosine kinase receptor


(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 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(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 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LTK (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
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant LTK (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50235830
PNG
(CHEMBL2006765)
Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)
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n/an/a 360n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50235816
PNG
(CHEMBL4069365)
Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27)
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n/an/a 5.11E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50235833
PNG
(CHEMBL4062803)
Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)
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n/an/a 6.01E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50235820
PNG
(CHEMBL4066664)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
Show InChI InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23)
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n/an/a 7.40E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306684
PNG
(2-(6-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)qu...)
Show SMILES C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H17Cl2FN2O2/c1-10(19-16(22)3-4-17(24)20(19)23)28-13-2-5-18-11(7-13)6-12(9-26-18)14-8-15(14)21(25)27/h2-7,9-10,14-15H,8H2,1H3,(H2,25,27)/t10-,14?,15?/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant LTK by TR-FRET assay


Bioorg Med Chem Lett 20: 1405-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.109
BindingDB Entry DOI: 10.7270/Q2HQ401G
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(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 TYK1 using [EAIYAAPFAKKK] as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50235817
PNG
(CHEMBL4078893)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
Show InChI InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Bioorg Med Chem Lett 26: 5562-5567 (2016)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448449
PNG
(CHEMBL3125667)
Show SMILES NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H30FN7O3S/c27-21-10-12-22(13-11-21)31-24-23-25(34(17-30-23)14-15-37-38(28,35)36)33-26(32-24)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h6-13,17,19H,1-5,14-16H2,(H2,28,35,36)(H2,29,31,32,33)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of TYK1 (unknown origin) after 20 mins


Bioorg Med Chem 21: 5618-28 (2013)


Article DOI: 10.1016/j.bmc.2013.04.080
BindingDB Entry DOI: 10.7270/Q2125V53
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306677
PNG
((R)-3-(6-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)qu...)
Show SMILES C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C20H15Cl2FN2O2/c1-11(19-15(21)4-5-16(23)20(19)22)27-14-3-6-17-13(9-14)8-12(10-25-17)2-7-18(24)26/h2-11H,1H3,(H2,24,26)/b7-2+/t11-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant LTK by TR-FRET assay


Bioorg Med Chem Lett 20: 1405-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.109
BindingDB Entry DOI: 10.7270/Q2HQ401G
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50182493
PNG
(CHEMBL3818247 | US9512121, 22)
Show SMILES CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
Show InChI InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged LTK cytoplasmic domain (498 to 796 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1031-1036 (2017)

More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306683
PNG
((R)-6-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)quino...)
Show SMILES C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C17H12Cl2FNO/c1-10(16-13(18)5-6-14(20)17(16)19)22-12-4-7-15-11(9-12)3-2-8-21-15/h2-10H,1H3/t10-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant LTK by TR-FRET assay


Bioorg Med Chem Lett 20: 1405-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.109
BindingDB Entry DOI: 10.7270/Q2HQ401G
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50364832
PNG
(CHEMBL1949788)
Show SMILES COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO
Show InChI InChI=1S/C19H20ClNO4/c1-25-18-9-6-15(19(24)21-11-17(23)12-22)10-14(18)5-2-13-3-7-16(20)8-4-13/h2-10,17,22-23H,11-12H2,1H3,(H,21,24)/b5-2+/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTK


Bioorg Med Chem 20: 1442-60 (2012)


Article DOI: 10.1016/j.bmc.2011.12.058
BindingDB Entry DOI: 10.7270/Q2SB466W
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50364833
PNG
(CHEMBL1949789)
Show SMILES COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO
Show InChI InChI=1S/C19H20ClNO4/c1-25-18-9-6-15(19(24)21-11-17(23)12-22)10-14(18)5-2-13-3-7-16(20)8-4-13/h2-10,17,22-23H,11-12H2,1H3,(H,21,24)/b5-2+/t17-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTK


Bioorg Med Chem 20: 1442-60 (2012)


Article DOI: 10.1016/j.bmc.2011.12.058
BindingDB Entry DOI: 10.7270/Q2SB466W
More data for this
Ligand-Target Pair