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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'miyahisa' and Initial = 'i'   
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
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50045924
PNG
((E)-3,5-stilbenediol | (E)-5-(2-phenylethenyl)-1,3...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
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74.3 -42.3n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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177 -40.1n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50247272
PNG
(5-(4-fluorostyryl)benzene-1,3-diol | CHEMBL451311 ...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C14H11FO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
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323 -38.5n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM68279
PNG
(Stilbene, 15f)
Show SMILES Oc1cc(O)cc(\C=C\c2ccoc2)c1
Show InChI InChI=1S/C12H10O3/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-8,13-14H/b2-1+
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1.11E+3 -35.4n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM68280
PNG
(Stilbene, 16f)
Show SMILES Oc1cc(O)cc(\C=C\c2ccsc2)c1
Show InChI InChI=1S/C12H10O2S/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-8,13-14H/b2-1+
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1.18E+3 -35.2n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
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=1/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=1/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=1/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=1/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=1/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=1/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=1/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
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50245999
PNG
(CHEMBL4084502)
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n/an/a 0.520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50245999
PNG
(CHEMBL4084502)
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n/an/a<1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50245998
PNG
(CHEMBL4064555)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50245998
PNG
(CHEMBL4064555)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246049
PNG
(CHEMBL4102458)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246049
PNG
(CHEMBL4102458)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246023
PNG
(CHEMBL4060775)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246000
PNG
(CHEMBL4070383)
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n/an/a 5.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246023
PNG
(CHEMBL4060775)
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n/an/a 8.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246000
PNG
(CHEMBL4070383)
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n/an/a 8.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246000
PNG
(CHEMBL4070383)
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246076
PNG
(CHEMBL4063561)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246045
PNG
(CHEMBL4090490)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246000
PNG
(CHEMBL4070383)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246045
PNG
(CHEMBL4090490)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246007
PNG
(CHEMBL4104260)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50245997
PNG
(CHEMBL4072166)
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n/an/a 39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246047
PNG
(CHEMBL4097127)
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246065
PNG
(CHEMBL4066595)
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246022
PNG
(CHEMBL4080025)
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n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246007
PNG
(CHEMBL4104260)
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n/an/a 55n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246065
PNG
(CHEMBL4066595)
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n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246006
PNG
(CHEMBL4087912)
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n/an/a 78n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246046
PNG
(CHEMBL4069465)
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n/an/a 79n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50448451
PNG
(CHEMBL3126120)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)|
Show InChI InChI=1S/C48H48N6O8S2/c1-31-27-34(47(55)51-64(60,61)37-22-23-40(43(29-37)54(58)59)49-35(24-25-52(3)4)30-63-36-15-6-5-7-16-36)28-32(2)45(31)42-20-11-19-41-39(46(48(56)57)50-53(41)42)18-12-26-62-44-21-10-14-33-13-8-9-17-38(33)44/h5-11,13-17,19-23,27-29,35,49H,12,18,24-26,30H2,1-4H3,(H,51,55)(H,56,57)/t35-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay


J Med Chem 56: 9635-45 (2014)


Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246066
PNG
(CHEMBL4085437)
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246046
PNG
(CHEMBL4069465)
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246022
PNG
(CHEMBL4080025)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246006
PNG
(CHEMBL4087912)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246066
PNG
(CHEMBL4085437)
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n/an/a 190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246048
PNG
(CHEMBL4079106)
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n/an/a 310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50245996
PNG
(CHEMBL4091399)
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n/an/a 360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246063
PNG
(CHEMBL4073142)
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n/an/a 410n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Rattus norvegicus)
BDBM50246064
PNG
(CHEMBL4062788)
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n/an/a 450n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50448458
PNG
(CHEMBL3126113)
Show SMILES OC(=O)c1nn2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H22N2O5/c31-27(32)20-15-13-19(14-16-20)23-10-4-11-24-22(26(28(33)34)29-30(23)24)9-5-17-35-25-12-3-7-18-6-1-2-8-21(18)25/h1-4,6-8,10-16H,5,9,17H2,(H,31,32)(H,33,34)
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n/an/a 540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay


J Med Chem 56: 9635-45 (2014)


Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50448452
PNG
(CHEMBL3126119)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r|
Show InChI InChI=1S/C47H46N6O8S2/c1-31-28-33(46(54)50-63(59,60)36-22-24-40(43(29-36)53(57)58)48-34(25-26-51(2)3)30-62-35-14-5-4-6-15-35)21-23-37(31)41-18-10-19-42-39(45(47(55)56)49-52(41)42)17-11-27-61-44-20-9-13-32-12-7-8-16-38(32)44/h4-10,12-16,18-24,28-29,34,48H,11,17,25-27,30H2,1-3H3,(H,50,54)(H,55,56)/t34-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay


J Med Chem 56: 9635-45 (2014)


Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50246076
PNG
(CHEMBL4063561)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50448453
PNG
(CHEMBL3126118)
Show SMILES Cc1cc(ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C50H48F3N5O9S3/c1-33-30-35(19-21-39(33)43-16-8-17-44-41(47(49(60)61)55-58(43)44)15-9-27-67-45-18-7-11-34-10-5-6-14-40(34)45)48(59)56-70(64,65)38-20-22-42(46(31-38)69(62,63)50(51,52)53)54-36(23-24-57-25-28-66-29-26-57)32-68-37-12-3-2-4-13-37/h2-8,10-14,16-22,30-31,36,54H,9,15,23-29,32H2,1H3,(H,56,59)(H,60,61)/t36-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay


J Med Chem 56: 9635-45 (2014)


Article DOI: 10.1021/jm401170c
BindingDB Entry DOI: 10.7270/Q2MS3V86
More data for this
Ligand-Target Pair
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