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PubMed code 26014484

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50092608
PNG
(CHEMBL3586249)
Show SMILES CC[Si]1(CC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18F6OSi/c1-3-27(4-2)15-8-6-5-7-13(15)14-11-12(9-10-16(14)27)17(26,18(20,21)22)19(23,24)25/h5-11,26H,3-4H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50092607
PNG
(CHEMBL3586250)
Show SMILES CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6OSi/c1-3-4-11-28(2)16-8-6-5-7-14(16)15-12-13(9-10-17(15)28)18(27,19(21,22)23)20(24,25)26/h5-10,12,27H,3-4,11H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50012260
PNG
(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50092606
PNG
(CHEMBL3586248)
Show SMILES C[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50092605
PNG
(CHEMBL3586247)
Show SMILES CCCC[Si]1(CCCC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H26F6OSi/c1-3-5-13-31(14-6-4-2)19-10-8-7-9-17(19)18-15-16(11-12-20(18)31)21(30,22(24,25)26)23(27,28)29/h7-12,15,30H,3-6,13-14H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50012260
PNG
(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50092605
PNG
(CHEMBL3586247)
Show SMILES CCCC[Si]1(CCCC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H26F6OSi/c1-3-5-13-31(14-6-4-2)19-10-8-7-9-17(19)18-15-16(11-12-20(18)31)21(30,22(24,25)26)23(27,28)29/h7-12,15,30H,3-6,13-14H2,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50092605
PNG
(CHEMBL3586247)
Show SMILES CCCC[Si]1(CCCC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H26F6OSi/c1-3-5-13-31(14-6-4-2)19-10-8-7-9-17(19)18-15-16(11-12-20(18)31)21(30,22(24,25)26)23(27,28)29/h7-12,15,30H,3-6,13-14H2,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50092607
PNG
(CHEMBL3586250)
Show SMILES CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6OSi/c1-3-4-11-28(2)16-8-6-5-7-14(16)15-12-13(9-10-17(15)28)18(27,19(21,22)23)20(24,25)26/h5-10,12,27H,3-4,11H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50012260
PNG
(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50092607
PNG
(CHEMBL3586250)
Show SMILES CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6OSi/c1-3-4-11-28(2)16-8-6-5-7-14(16)15-12-13(9-10-17(15)28)18(27,19(21,22)23)20(24,25)26/h5-10,12,27H,3-4,11H2,1-2H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50092606
PNG
(CHEMBL3586248)
Show SMILES C[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
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n/an/a 9.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%