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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Interleukin-17A'   
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))
BDBM247031
PNG
(1-((1-(2-fluorophenylsulfonyl)piperidin-4-yl)methy...)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C23H23FN4O2S/c24-21-3-1-2-4-23(21)31(29,30)28-11-7-17(8-12-28)16-27-10-9-19-13-18(5-6-22(19)27)20-14-25-26-15-20/h1-6,9-10,13-15,17H,7-8,11-12,16H2,(H,25,26)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (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-17A


(Homo sapiens (human))
BDBM247033
PNG
(US9701663, 48 | rac.-trans-1-((-5-methyl-1-(phenyl...)
Show SMILES C[C@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m0/s1
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247034
PNG
(1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C18H22N4O2S/c1-25(23,24)22-8-4-14(5-9-22)13-21-7-6-16-10-15(2-3-18(16)21)17-11-19-20-12-17/h2-3,6-7,10-12,14H,4-5,8-9,13H2,1H3,(H,19,20)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247010
PNG
(1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247023
PNG
(US9701663, 6)
Show SMILES C(C1CC2CCC1N2)n1ccc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H28N4O/c1-2-10-28-23(3-1)27-15-19(13-24-27)16-4-7-22-17(11-16)8-9-26(22)14-18-12-20-5-6-21(18)25-20/h4,7-9,11,13,15,18,20-21,23,25H,1-3,5-6,10,12,14H2
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247026
PNG
(US9701663, 7)
Show SMILES C(C1CCNCC1)N1CCCc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247027
PNG
(US9701663, 8)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C19H21F3N4O2S/c20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247028
PNG
(1-((5,5-dimethyl-1-(phenylsulfonyl)pyrrolidin-3-yl...)
Show SMILES CC1(C)CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-24(2)13-18(17-28(24)31(29,30)22-6-4-3-5-7-22)16-27-11-10-20-12-19(8-9-23(20)27)21-14-25-26-15-21/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,25,26)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247029
PNG
(1-((1-(4-chlorophenylsulfonyl)piperidin-4-yl)methy...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C23H23ClN4O2S/c24-21-2-4-22(5-3-21)31(29,30)28-11-7-17(8-12-28)16-27-10-9-19-13-18(1-6-23(19)27)20-14-25-26-15-20/h1-6,9-10,13-15,17H,7-8,11-12,16H2,(H,25,26)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247030
PNG
(5-(1H-pyrazol-4-yl)-1-((1-(pyridin-3-ylsulfonyl)pi...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1cccnc1
Show InChI InChI=1S/C22H23N5O2S/c28-30(29,21-2-1-8-23-15-21)27-10-5-17(6-11-27)16-26-9-7-19-12-18(3-4-22(19)26)20-13-24-25-14-20/h1-4,7-9,12-15,17H,5-6,10-11,16H2,(H,24,25)
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

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
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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-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-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...


US Patent US9708268 (2017)

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

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))
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...


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-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

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
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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-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-17A


(Homo sapiens (human))
BDBM247032
PNG
(US9701663, 47 | rac.-cis-1-((-5-methyl-1-(phenylsu...)
Show SMILES C[C@@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m1/s1
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INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair