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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 337.0
BDBM261498
Wt: 191.2
BDBM261499
Wt: 447.3
BDBM261500
Wt: 474.3
BDBM261504
Wt: 302.1
BDBM261505
Wt: 459.3
BDBM261506
Wt: 472.3
BDBM261507
Wt: 198.0
BDBM261508
Wt: 433.3
BDBM261509

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 33 hits in this display   
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))
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...


US Patent US9708268 (2017)

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
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
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
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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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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+
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...


US Patent US9708268 (2017)

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+
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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...


US Patent US9708268 (2017)

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+
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...


US Patent US9708268 (2017)

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
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...


US Patent US9708268 (2017)

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
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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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
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...


US Patent US9708268 (2017)

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
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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

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

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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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...


US Patent US9708268 (2017)

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+
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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...


US Patent US9708268 (2017)

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
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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...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair