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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'matsui' and Initial = 'j'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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4.70E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluoresce...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50036202
PNG
(CHEMBL3358689)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)
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9.00E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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1.20E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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1.20E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRE...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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1.30E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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1.40E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescen...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50036202
PNG
(CHEMBL3358689)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)
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2.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50245999
PNG
(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571009
PNG
(CHEMBL4865592)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.760n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571010
PNG
(CHEMBL4848604)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.810n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571019
PNG
(CHEMBL4845957)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50245999
PNG
(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571012
PNG
(CHEMBL4867696)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571018
PNG
(CHEMBL4849679)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2cc(F)c(NC(=O)c3cc4C(=O)CCCc4n(-c4ccccc4)c3=O)cc2F)ccn1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571028
PNG
(CHEMBL4853815)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50245998
PNG
(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50245998
PNG
(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571952
PNG
(CHEMBL4858396)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50535222
PNG
(CHEMBL4439992)
Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs


ACS Med Chem Lett 7: 868-72 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00241
BindingDB Entry DOI: 10.7270/Q2FN19QQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Axl expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571020
PNG
(CHEMBL4867664)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571025
PNG
(CHEMBL4846932)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571025
PNG
(CHEMBL4846932)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571021
PNG
(CHEMBL4849099)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50535222
PNG
(CHEMBL4439992)
Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
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Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs


ACS Med Chem Lett 7: 868-72 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00241
BindingDB Entry DOI: 10.7270/Q2FN19QQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571016
PNG
(CHEMBL4864389)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3cc(F)c(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571951
PNG
(CHEMBL4864780)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571011
PNG
(CHEMBL4865438)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571933
PNG
(CHEMBL4878216)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571953
PNG
(CHEMBL4860541)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571012
PNG
(CHEMBL4867696)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human Axl expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571017
PNG
(CHEMBL4852684)
Show SMILES CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human Mer expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571932
PNG
(CHEMBL4865150)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571945
PNG
(CHEMBL4866147)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CCN(CC4CC4)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571022
PNG
(CHEMBL4864028)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246049
PNG
(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571943
PNG
(CHEMBL4848465)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCN(C)CC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571947
PNG
(CHEMBL4850929)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CN(C)C3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246049
PNG
(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246023
PNG
(CHEMBL4060775)
Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571932
PNG
(CHEMBL4865150)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Mer (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571019
PNG
(CHEMBL4845957)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
PDB
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n/an/a<4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged Mer using biotinylated peptide as substrate incubated for 1 hr by TR-FRET analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571933
PNG
(CHEMBL4878216)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Mer (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571015
PNG
(CHEMBL4862542)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cc5C(=O)CCCc5n(-c5ccccc5)c4=O)c(F)c3)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571940
PNG
(CHEMBL4859147)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CC3CCN(C)CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50571012
PNG
(CHEMBL4867696)
Show SMILES CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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TBA

Assay Description
Inhibition of recombinant human Mer expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assa...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116137
BindingDB Entry DOI: 10.7270/Q2PV6Q46
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571955
PNG
(CHEMBL4860402)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(C)cn4)c3=O)cc2F)CC1
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TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571936
PNG
(CHEMBL4872556)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)C3CCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50571954
PNG
(CHEMBL4857544)
Show SMILES CN1CCC(CN2CCc3c(C2)ncnc3Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(C)cn4)c3=O)cc2F)CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Axl (unknown origin) by cell free assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128247
BindingDB Entry DOI: 10.7270/Q2BC43BR
More data for this
Ligand-Target Pair
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