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Patent code US9708268

Compile Data Set for Download or QSAR
Found 42 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
Interleukin-17A


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261503
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2C(=O)CCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-3,5-7,9,12,31H,4,8,10-11H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261500
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2CCCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c22-20(23,24)19(30,21(25,26)27)17-6-3-14(4-7-17)11-28-9-1-2-16-10-15(12-31-13-29)5-8-18(16)28/h3-8,10,13,30H,1-2,9,11-12H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261501
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCCc2c1
Show InChI InChI=1S/C22H22F6N2O2/c1-29(2)19(31)16-7-10-18-15(12-16)4-3-11-30(18)13-14-5-8-17(9-6-14)20(32,21(23,24)25)22(26,27)28/h5-10,12,32H,3-4,11,13H2,1-2H3
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261506
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(Cn2c3ccc(COC=O)cc3ccc2=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-9,12,31H,10-11H2
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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261500
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2CCCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c22-20(23,24)19(30,21(25,26)27)17-6-3-14(4-7-17)11-28-9-1-2-16-10-15(12-31-13-29)5-8-18(16)28/h3-8,10,13,30H,1-2,9,11-12H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261506
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(Cn2c3ccc(COC=O)cc3ccc2=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-9,12,31H,10-11H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261500
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2CCCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c22-20(23,24)19(30,21(25,26)27)17-6-3-14(4-7-17)11-28-9-1-2-16-10-15(12-31-13-29)5-8-18(16)28/h3-8,10,13,30H,1-2,9,11-12H2
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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261503
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2C(=O)CCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-3,5-7,9,12,31H,4,8,10-11H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261507
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2n(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)c(=O)ccc2c1
Show InChI InChI=1S/C22H18F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-11,33H,12H2,1-2H3
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261504
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C22H20F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-5,7-9,11,33H,6,10,12H2,1-2H3
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261501
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCCc2c1
Show InChI InChI=1S/C22H22F6N2O2/c1-29(2)19(31)16-7-10-18-15(12-16)4-3-11-30(18)13-14-5-8-17(9-6-14)20(32,21(23,24)25)22(26,27)28/h5-10,12,32H,3-4,11,13H2,1-2H3
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261504
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C22H20F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-5,7-9,11,33H,6,10,12H2,1-2H3
PDB

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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261504
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C22H20F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-5,7-9,11,33H,6,10,12H2,1-2H3
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261507
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2n(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)c(=O)ccc2c1
Show InChI InChI=1S/C22H18F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-11,33H,12H2,1-2H3
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261504
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc2c1
Show InChI InChI=1S/C22H20F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-5,7-9,11,33H,6,10,12H2,1-2H3
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INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261503
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2C(=O)CCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H17F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-3,5-7,9,12,31H,4,8,10-11H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261506
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(Cn2c3ccc(COC=O)cc3ccc2=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-9,12,31H,10-11H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261506
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(Cn2c3ccc(COC=O)cc3ccc2=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6NO4/c22-20(23,24)19(31,21(25,26)27)16-5-1-13(2-6-16)10-28-17-7-3-14(11-32-12-29)9-15(17)4-8-18(28)30/h1-9,12,31H,10-11H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
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INNOV17 LLC

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Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261501
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCCc2c1
Show InChI InChI=1S/C22H22F6N2O2/c1-29(2)19(31)16-7-10-18-15(12-16)4-3-11-30(18)13-14-5-8-17(9-6-14)20(32,21(23,24)25)22(26,27)28/h5-10,12,32H,3-4,11,13H2,1-2H3
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INNOV17 LLC

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Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
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INNOV17 LLC

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Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261507
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CN(C)C(=O)c1ccc2n(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)c(=O)ccc2c1
Show InChI InChI=1S/C22H18F6N2O3/c1-29(2)19(32)15-5-9-17-14(11-15)6-10-18(31)30(17)12-13-3-7-16(8-4-13)20(33,21(23,24)25)22(26,27)28/h3-11,33H,12H2,1-2H3
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INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261500
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(CN2CCCc3cc(COC=O)ccc23)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c22-20(23,24)19(30,21(25,26)27)17-6-3-14(4-7-17)11-28-9-1-2-16-10-15(12-31-13-29)5-8-18(16)28/h3-8,10,13,30H,1-2,9,11-12H2
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INNOV17 LLC

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Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%