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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P41212   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531864
PNG
(CHEMBL4524568)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCN(CCc3c2)C2CCCC2)nc1NC1CCOCC1
Show InChI InChI=1S/C27H38N6O2/c1-2-23-26(29-20-11-15-35-16-12-20)32-27(24(31-23)25(28)34)30-21-8-7-18-9-13-33(14-10-19(18)17-21)22-5-3-4-6-22/h7-8,17,20,22H,2-6,9-16H2,1H3,(H2,28,34)(H2,29,30,32)
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n/an/a<0.300n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531860
PNG
(CHEMBL4581972)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCN(CCc3c2)C2CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C25H34N6O2/c1-2-21-24(27-18-9-13-33-14-10-18)30-25(22(29-21)23(26)32)28-19-4-3-16-7-11-31(20-5-6-20)12-8-17(16)15-19/h3-4,15,18,20H,2,5-14H2,1H3,(H2,26,32)(H2,27,28,30)
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n/an/a 3n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531858
PNG
(CHEMBL4576727)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCC(CCc3c2)N2CCCC2)nc1NC1CCOCC1
Show InChI InChI=1S/C27H38N6O2/c1-2-23-26(29-20-11-15-35-16-12-20)32-27(24(31-23)25(28)34)30-21-8-5-18-6-9-22(10-7-19(18)17-21)33-13-3-4-14-33/h5,8,17,20,22H,2-4,6-7,9-16H2,1H3,(H2,28,34)(H2,29,30,32)
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n/an/a 4.30n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM144315
PNG
(Gilteritinib | US11512074, Example T-9 | US8969336...)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531865
PNG
(CHEMBL4516515)
Show SMILES CCC1CCC(C1)N1CCc2ccc(Nc3nc(NC4CCOCC4)c(CC)nc3C(N)=O)cc2CC1
Show InChI InChI=1S/C29H42N6O2/c1-3-19-5-8-24(17-19)35-13-9-20-6-7-23(18-21(20)10-14-35)32-29-26(27(30)36)33-25(4-2)28(34-29)31-22-11-15-37-16-12-22/h6-7,18-19,22,24H,3-5,8-17H2,1-2H3,(H2,30,36)(H2,31,32,34)
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n/an/a 9.60n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531862
PNG
(CHEMBL4529955)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCN(CCc3c2)C(=O)C2(N)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C26H35N7O3/c1-2-20-23(29-18-7-13-36-14-8-18)32-24(21(31-20)22(27)34)30-19-4-3-16-5-11-33(12-6-17(16)15-19)25(35)26(28)9-10-26/h3-4,15,18H,2,5-14,28H2,1H3,(H2,27,34)(H2,29,30,32)
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n/an/a 103n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531863
PNG
(CHEMBL4592943)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3OCC4CN(C)CCN4C(=O)c3c2)nc1NC1CCOCC1
Show InChI InChI=1S/C25H33N7O4/c1-3-19-23(27-15-6-10-35-11-7-15)30-24(21(29-19)22(26)33)28-16-4-5-20-18(12-16)25(34)32-9-8-31(2)13-17(32)14-36-20/h4-5,12,15,17H,3,6-11,13-14H2,1-2H3,(H2,26,33)(H2,27,28,30)
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n/an/a>200n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531859
PNG
(CHEMBL4475960)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3OCC4CN(CCN4C(=O)c3c2)C(C)C)nc1NC1CCOCC1
Show InChI InChI=1S/C27H37N7O4/c1-4-21-25(29-17-7-11-37-12-8-17)32-26(23(31-21)24(28)35)30-18-5-6-22-20(13-18)27(36)34-10-9-33(16(2)3)14-19(34)15-38-22/h5-6,13,16-17,19H,4,7-12,14-15H2,1-3H3,(H2,28,35)(H2,29,30,32)
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n/an/a>200n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531866
PNG
(CHEMBL4578043)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCC(CCc3c2)N2CC3CNCC3C2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H41N7O2/c1-2-25-28(32-22-9-11-38-12-10-22)35-29(26(34-25)27(30)37)33-23-6-3-18-4-7-24(8-5-19(18)13-23)36-16-20-14-31-15-21(20)17-36/h3,6,13,20-22,24,31H,2,4-5,7-12,14-17H2,1H3,(H2,30,37)(H2,32,33,35)
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n/an/a>200n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531861
PNG
(CHEMBL4519811)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3CCN(CCc3c2)C2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C28H41N7O2/c1-3-24-27(30-21-10-16-37-17-11-21)33-28(25(32-24)26(29)36)31-22-5-4-19-6-14-35(15-7-20(19)18-22)23-8-12-34(2)13-9-23/h4-5,18,21,23H,3,6-17H2,1-2H3,(H2,29,36)(H2,30,31,33)
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n/an/a 214n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair
Transcription factor ETV6/Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50531867
PNG
(CHEMBL4462288)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3OCC4CNCCN4C(=O)c3c2)nc1NC1CCOCC1
Show InChI InChI=1S/C24H31N7O4/c1-2-18-22(27-14-5-9-34-10-6-14)30-23(20(29-18)21(25)32)28-15-3-4-19-17(11-15)24(33)31-8-7-26-12-16(31)13-35-19/h3-4,11,14,16,26H,2,5-10,12-13H2,1H3,(H2,25,32)(H2,27,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay


Bioorg Med Chem Lett 29: 836-838 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.018
BindingDB Entry DOI: 10.7270/Q25B05Z7
More data for this
Ligand-Target Pair