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Patent code WO2022091056

Compile Data Set for Download or QSAR

Found 230 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-17A/Interleukin-17 receptor A


(Homo sapiens (Human))
BDBM548167
PNG
(WO2022091056, Example 158)
Show SMILES CC(C)n1nccc1C(=O)N[C@H](C1CCCC(F)(F)C1)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H30ClF2N5O3/c1-16(2)35-22(10-13-31-35)25(36)33-24(19-5-4-12-27(29,30)15-19)26(37)32-20-8-6-18(7-9-20)23-17(3)34(38)14-11-21(23)28/h6-11,13-14,16,19,24H,4-5,12,15H2,1-3H3,(H,32,37)(H,33,36)/t19?,24-/m1/s1
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WIPO WO2022091056
n/an/a<6.10n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548005
PNG
(2,4-dimethyl-3-(4-((S)-2-(1-methyl-1H-pyrazole-5-c...)
Show SMILES Cc1cc[n+]([O-])c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)[C@H]2CCCc3ccccc23)cc1
Show InChI InChI=1S/C30H31N5O3/c1-19-16-18-35(38)20(2)27(19)22-11-13-23(14-12-22)32-30(37)28(33-29(36)26-15-17-31-34(26)3)25-10-6-8-21-7-4-5-9-24(21)25/h4-5,7,9,11-18,25,28H,6,8,10H2,1-3H3,(H,32,37)(H,33,36)/t25-,28-/m0/s1
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WIPO WO2022091056
n/an/a 8n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548056
PNG
(WO2022091056, Example 48)
Show SMILES CC(C)n1nccc1C(=O)N[C@@H](C1CCCCCC1)C(=O)Nc1ccc(cn1)-c1c(C)cc[n+]([O-])c1Cl
Show InChI InChI=1S/C27H33ClN6O3/c1-17(2)34-21(12-14-30-34)26(35)32-24(19-8-6-4-5-7-9-19)27(36)31-22-11-10-20(16-29-22)23-18(3)13-15-33(37)25(23)28/h10-17,19,24H,4-9H2,1-3H3,(H,32,35)(H,29,31,36)/t24-/m0/s1
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WIPO WO2022091056
n/an/a 12n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548188
PNG
(WO2022091056, Example 179 | WO2022091056, Example ...)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3CNCCn23)C2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C28H30ClF2N5O3/c1-17-24(22(29)10-14-36(17)39)18-2-4-20(5-3-18)33-27(38)25(19-8-11-28(30,31)12-9-19)34-26(37)23-7-6-21-16-32-13-15-35(21)23/h2-7,10,14,19,25,32H,8-9,11-13,15-16H2,1H3,(H,33,38)(H,34,37)/t25-/m0/s1
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WIPO WO2022091056
n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548093
PNG
(WO2022091056, Example 84)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccnn1C)C(=O)Nc1ccc(c(F)c1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H32FN5O3/c1-16-5-7-19(8-6-16)25(31-26(34)23-11-13-29-32(23)4)27(35)30-20-9-10-21(22(28)15-20)24-17(2)12-14-33(36)18(24)3/h9-16,19,25H,5-8H2,1-4H3,(H,30,35)(H,31,34)/t16-,19-,25-/m0/s1
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WIPO WO2022091056
n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548071
PNG
(WO2022091056, Example 62)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)c(F)c1F
Show InChI InChI=1S/C25H26ClF2N5O3/c1-14-20(17(26)11-13-33(14)36)16-8-9-18(22(28)21(16)27)30-25(35)23(15-6-4-3-5-7-15)31-24(34)19-10-12-29-32(19)2/h8-13,15,23H,3-7H2,1-2H3,(H,30,35)(H,31,34)/t23-/m0/s1
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WIPO WO2022091056
n/an/a 15n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548061
PNG
(WO2022091056, Example 53)
Show SMILES Cc1occc1C(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H31N3O4/c1-17-13-15-30(33)18(2)24(17)20-9-11-22(12-10-20)28-27(32)25(21-7-5-4-6-8-21)29-26(31)23-14-16-34-19(23)3/h9-16,21,25H,4-8H2,1-3H3,(H,28,32)(H,29,31)/t25-/m0/s1
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WIPO WO2022091056
n/an/a 16n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548020
PNG
(WO2022091056, Example 13a)
Show SMILES CCn1nccc1C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H28ClF2N5O3/c1-3-33-21(10-14-30-33)24(35)32-23(18-8-12-26(28,29)13-9-18)25(36)31-19-6-4-17(5-7-19)22-16(2)34(37)15-11-20(22)27/h4-7,10-11,14-15,18,23H,3,8-9,12-13H2,1-2H3,(H,31,36)(H,32,35)/t23-/m0/s1
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WIPO WO2022091056
n/an/a 16n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548006
PNG
(4-chloro-3-(4-((S)-2-cyclohexyl-2-(1-methyl-1H-pyr...)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)cc1F
Show InChI InChI=1S/C25H27ClFN5O3/c1-15-22(19(26)11-13-32(15)35)18-9-8-17(14-20(18)27)29-25(34)23(16-6-4-3-5-7-16)30-24(33)21-10-12-28-31(21)2/h8-14,16,23H,3-7H2,1-2H3,(H,29,34)(H,30,33)/t23-/m0/s1
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WIPO WO2022091056
n/an/a 17n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548055
PNG
(WO2022091056, Example 47)
Show SMILES Cc1cc[n+]([O-])c(Cl)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1
Show InChI InChI=1S/C25H29ClN6O3/c1-16-12-14-32(35)23(26)21(16)18-9-10-20(27-15-18)29-25(34)22(17-7-5-3-4-6-8-17)30-24(33)19-11-13-28-31(19)2/h9-15,17,22H,3-8H2,1-2H3,(H,30,33)(H,27,29,34)/t22-/m0/s1
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WIPO WO2022091056
n/an/a 17n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548046
PNG
(WO2022091056, Example 38)
Show SMILES Cc1nocc1C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H25ClN4O4/c1-16-12-13-32(35)18(3)25(16)19-8-10-21(11-9-19)29-27(34)24(14-20-6-4-5-7-23(20)28)30-26(33)22-15-36-31-17(22)2/h4-13,15,24H,14H2,1-3H3,(H,29,34)(H,30,33)/t24-/m0/s1
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WIPO WO2022091056
n/an/a 17n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548070
PNG
(WO2022091056, Example 61)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1c(F)cc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)cc1F
Show InChI InChI=1S/C25H26ClF2N5O3/c1-14-21(17(26)9-11-33(14)36)22-18(27)12-16(13-19(22)28)30-25(35)23(15-6-4-3-5-7-15)31-24(34)20-8-10-29-32(20)2/h8-13,15,23H,3-7H2,1-2H3,(H,30,35)(H,31,34)/t23-/m0/s1
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WIPO WO2022091056
n/an/a 18n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548075
PNG
(WO2022091056, Example 66)
Show SMILES Cc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3C)C3CCCCC3)cc2F)c(cc[n+]1[O-])C(F)(F)F
Show InChI InChI=1S/C26H27F4N5O3/c1-15-22(19(26(28,29)30)11-13-35(15)38)18-9-8-17(14-20(18)27)32-25(37)23(16-6-4-3-5-7-16)33-24(36)21-10-12-31-34(21)2/h8-14,16,23H,3-7H2,1-2H3,(H,32,37)(H,33,36)/t23-/m0/s1
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WIPO WO2022091056
n/an/a 18n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548054
PNG
(WO2022091056, Example 46)
Show SMILES C[C@H]1CCC(CC1)[C@H](NC(=O)c1ccnn1C)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H30ClN5O3/c1-16-4-6-19(7-5-16)24(30-25(33)22-12-14-28-31(22)3)26(34)29-20-10-8-18(9-11-20)23-17(2)32(35)15-13-21(23)27/h8-16,19,24H,4-7H2,1-3H3,(H,29,34)(H,30,33)/t16-,19?,24-/m0/s1
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WIPO WO2022091056
n/an/a 18n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548116
PNG
(WO2022091056, Example 107)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(F)(F)CC2)cc1F
Show InChI InChI=1S/C25H25ClF3N5O3/c1-14-21(18(26)8-12-34(14)37)17-4-3-16(13-19(17)27)31-24(36)22(15-5-9-25(28,29)10-6-15)32-23(35)20-7-11-30-33(20)2/h3-4,7-8,11-13,15,22H,5-6,9-10H2,1-2H3,(H,31,36)(H,32,35)/t22-/m0/s1
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WIPO WO2022091056
n/an/a 19n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548036
PNG
(WO2022091056, Example 28)
Show SMILES CCc1nocc1C(=O)N[C@@H]([C@H]1CCC(F)=CC1)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H29FN4O4/c1-4-23-22(15-36-31-23)26(33)30-25(19-5-9-20(28)10-6-19)27(34)29-21-11-7-18(8-12-21)24-16(2)13-14-32(35)17(24)3/h7-9,11-15,19,25H,4-6,10H2,1-3H3,(H,29,34)(H,30,33)/t19-,25+/m1/s1
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WIPO WO2022091056
n/an/a 20n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548065
PNG
(WO2022091056, Example 56)
Show SMILES C[C@H]1CC[C@H](CC1)[C@H](NC(=O)c1ccnn1C)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H29ClFN5O3/c1-15-4-6-17(7-5-15)24(31-25(34)22-10-12-29-32(22)3)26(35)30-18-8-9-19(21(28)14-18)23-16(2)33(36)13-11-20(23)27/h8-15,17,24H,4-7H2,1-3H3,(H,30,35)(H,31,34)/t15-,17+,24-/m0/s1
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WIPO WO2022091056
n/an/a 21n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548119
PNG
(WO2022091056, Example 110)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)[C@H]2CCCC(F)(F)C2)cc1F
Show InChI InChI=1S/C25H25ClF3N5O3/c1-14-21(18(26)8-11-34(14)37)17-6-5-16(12-19(17)27)31-24(36)22(15-4-3-9-25(28,29)13-15)32-23(35)20-7-10-30-33(20)2/h5-8,10-12,15,22H,3-4,9,13H2,1-2H3,(H,31,36)(H,32,35)/t15-,22-/m0/s1
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WIPO WO2022091056
n/an/a 23n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548058
PNG
(WO2022091056, Example 50)
Show SMILES CC(C)n1nccc1C(=O)N[C@@H](C1CCCc2ccccc12)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C32H35N5O3/c1-20(2)37-28(16-18-33-37)31(38)35-30(27-11-7-9-23-8-5-6-10-26(23)27)32(39)34-25-14-12-24(13-15-25)29-21(3)17-19-36(40)22(29)4/h5-6,8,10,12-20,27,30H,7,9,11H2,1-4H3,(H,34,39)(H,35,38)/t27?,30-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 23n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548154
PNG
(WO2022091056, Example 145)
Show SMILES CCn1nccc1C(=O)N[C@@H](C1C[C@@H]2C[C@H]2C1)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H28ClN5O3/c1-3-31-22(8-10-28-31)25(33)30-24(19-13-17-12-18(17)14-19)26(34)29-20-6-4-16(5-7-20)23-15(2)32(35)11-9-21(23)27/h4-11,17-19,24H,3,12-14H2,1-2H3,(H,29,34)(H,30,33)/t17-,18-,24-/m0/s1
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WIPO WO2022091056
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NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548009
PNG
(2,4-dimethyl-3-(4-((S)-2-(1-methyl-1H-pyrazole-5-c...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccnn1C)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H33N5O3/c1-17-5-7-21(8-6-17)25(30-26(33)23-13-15-28-31(23)4)27(34)29-22-11-9-20(10-12-22)24-18(2)14-16-32(35)19(24)3/h9-17,21,25H,5-8H2,1-4H3,(H,29,34)(H,30,33)/t17-,21-,25-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548049
PNG
(WO2022091056, Example 41)
Show SMILES Cc1cc[n+]([O-])c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)cc1
Show InChI InChI=1S/C27H33N5O3/c1-18-15-17-32(35)19(2)24(18)20-10-12-22(13-11-20)29-27(34)25(21-8-6-4-5-7-9-21)30-26(33)23-14-16-28-31(23)3/h10-17,21,25H,4-9H2,1-3H3,(H,29,34)(H,30,33)/t25-/m0/s1
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NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548022
PNG
(WO2022091056, Example 14)
Show SMILES Cc1nocc1C(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C25H26ClFN4O4/c1-14-19(13-35-30-14)24(32)29-23(16-6-4-3-5-7-16)25(33)28-17-8-9-18(21(27)12-17)22-15(2)31(34)11-10-20(22)26/h8-13,16,23H,3-7H2,1-2H3,(H,28,33)(H,29,32)/t23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548006
PNG
(4-chloro-3-(4-((S)-2-cyclohexyl-2-(1-methyl-1H-pyr...)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)cc1F
Show InChI InChI=1S/C25H27ClFN5O3/c1-15-22(19(26)11-13-32(15)35)18-9-8-17(14-20(18)27)29-25(34)23(16-6-4-3-5-7-16)30-24(33)21-10-12-28-31(21)2/h8-14,16,23H,3-7H2,1-2H3,(H,29,34)(H,30,33)/t23-/m0/s1
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NOVARTIS AG

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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548026
PNG
(WO2022091056, Example 18 | WO2022091056, Example 2...)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CC[C@@H](CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H27ClF3N5O3/c1-15-22(20(27)12-14-35(15)38)16-5-9-19(10-6-16)32-25(37)23(33-24(36)21-11-13-31-34(21)2)17-3-7-18(8-4-17)26(28,29)30/h5-6,9-14,17-18,23H,3-4,7-8H2,1-2H3,(H,32,37)(H,33,36)/t17?,18-,23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548048
PNG
(WO2022091056, Example 40)
Show SMILES CC(C)n1nccc1C(=O)N[C@@H](C1CCCCCC1)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C29H37N5O3/c1-19(2)34-25(15-17-30-34)28(35)32-27(23-9-7-5-6-8-10-23)29(36)31-24-13-11-22(12-14-24)26-20(3)16-18-33(37)21(26)4/h11-19,23,27H,5-10H2,1-4H3,(H,31,36)(H,32,35)/t27-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548053
PNG
(WO2022091056, Example 45)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)cc1
Show InChI InChI=1S/C25H28ClN5O3/c1-16-22(20(26)13-15-31(16)34)17-8-10-19(11-9-17)28-25(33)23(18-6-4-3-5-7-18)29-24(32)21-12-14-27-30(21)2/h8-15,18,23H,3-7H2,1-2H3,(H,28,33)(H,29,32)/t23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548027
PNG
(WO2022091056, Example 19)
Show SMILES Cc1nocc1C(=O)N[C@@H](C1CC[C@@H](CC1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H26ClF3N4O4/c1-14-20(13-38-33-14)24(35)32-23(17-3-7-18(8-4-17)26(28,29)30)25(36)31-19-9-5-16(6-10-19)22-15(2)34(37)12-11-21(22)27/h5-6,9-13,17-18,23H,3-4,7-8H2,1-2H3,(H,31,36)(H,32,35)/t17?,18-,23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548010
PNG
(WO2022091056, Example 4)
Show SMILES CCn1nccc1C(=O)N[C@@H]([C@H]1CC[C@@H](CC1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C28H32F3N5O3/c1-4-35-23(13-15-32-35)26(37)34-25(20-5-9-21(10-6-20)28(29,30)31)27(38)33-22-11-7-19(8-12-22)24-17(2)14-16-36(39)18(24)3/h7-8,11-16,20-21,25H,4-6,9-10H2,1-3H3,(H,33,38)(H,34,37)/t20-,21-,25-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548050
PNG
(WO2022091056, Example 42)
Show SMILES Cc1cc[n+]([O-])c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C2CC2)C2CCCCCC2)cc1
Show InChI InChI=1S/C29H35N5O3/c1-19-16-18-33(37)20(2)26(19)21-9-11-23(12-10-21)31-29(36)27(22-7-5-3-4-6-8-22)32-28(35)25-15-17-30-34(25)24-13-14-24/h9-12,15-18,22,24,27H,3-8,13-14H2,1-2H3,(H,31,36)(H,32,35)/t27-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548011
PNG
(WO2022091056, Example 5)
Show SMILES CCc1nocc1C(=O)N[C@@H](C1CCCC1)C(=O)Nc1ccc(cc1)-c1c(C)[n+]([O-])ccc1C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O4/c1-3-21-19(14-37-32-21)24(34)31-23(17-6-4-5-7-17)25(35)30-18-10-8-16(9-11-18)22-15(2)33(36)13-12-20(22)26(27,28)29/h8-14,17,23H,3-7H2,1-2H3,(H,30,35)(H,31,34)/t23-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548062
PNG
(WO2022091056, Example 54a)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1
Show InChI InChI=1S/C25H24ClF2N5O3/c1-13-21(19(26)8-10-33(13)36)14-3-5-16(6-4-14)30-24(35)22(15-11-17-18(12-15)25(17,27)28)31-23(34)20-7-9-29-32(20)2/h3-10,15,17-18,22H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t15-,17+,18-,22-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548234
PNG
(WO2022091056, Example 225)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F
Show InChI InChI=1S/C25H25ClFN5O3/c1-13-22(19(26)6-8-32(13)35)18-4-3-17(12-20(18)27)29-25(34)23(16-10-14-9-15(14)11-16)30-24(33)21-5-7-28-31(21)2/h3-8,12,14-16,23H,9-11H2,1-2H3,(H,29,34)(H,30,33)/t14-,15+,16+,23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548117
PNG
(WO2022091056, Example 108)
Show SMILES CCn1nccc1C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H27ClF3N5O3/c1-3-34-21(8-12-31-34)24(36)33-23(16-6-10-26(29,30)11-7-16)25(37)32-17-4-5-18(20(28)14-17)22-15(2)35(38)13-9-19(22)27/h4-5,8-9,12-14,16,23H,3,6-7,10-11H2,1-2H3,(H,32,37)(H,33,36)/t23-/m0/s1
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Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548052
PNG
(WO2022091056, Example 44)
Show SMILES Cc1nocc1C(=O)N[C@@H](C1CCCCCC1)C(=O)Nc1ccc(cn1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H31N5O4/c1-16-12-13-31(34)18(3)23(16)20-10-11-22(27-14-20)28-26(33)24(19-8-6-4-5-7-9-19)29-25(32)21-15-35-30-17(21)2/h10-15,19,24H,4-9H2,1-3H3,(H,29,32)(H,27,28,33)/t24-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548066
PNG
(WO2022091056, Example 57)
Show SMILES Cc1nocc1C(=O)N[C@@H]([C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C25H24ClFN4O4/c1-12-19(11-35-30-12)24(32)29-23(16-8-14-7-15(14)9-16)25(33)28-17-3-4-18(21(27)10-17)22-13(2)31(34)6-5-20(22)26/h3-6,10-11,14-16,23H,7-9H2,1-2H3,(H,28,33)(H,29,32)/t14-,15+,16+,23-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548064
PNG
(WO2022091056, Example 55)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(F)=CC2)cc1
Show InChI InChI=1S/C25H25ClFN5O3/c1-15-22(20(26)12-14-32(15)35)16-5-9-19(10-6-16)29-25(34)23(17-3-7-18(27)8-4-17)30-24(33)21-11-13-28-31(21)2/h5-7,9-14,17,23H,3-4,8H2,1-2H3,(H,29,34)(H,30,33)/t17?,23-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548029
PNG
(WO2022091056, Example 21)
Show SMILES CCn1nccc1C(=O)N[C@@H](C1CCCC1)C(=O)Nc1ccc(cc1)-c1c(C)[n+]([O-])ccc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O3/c1-3-33-21(12-14-30-33)24(35)32-23(18-6-4-5-7-18)25(36)31-19-10-8-17(9-11-19)22-16(2)34(37)15-13-20(22)26(27,28)29/h8-15,18,23H,3-7H2,1-2H3,(H,31,36)(H,32,35)/t23-/m0/s1
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WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548014
PNG
(3-(4-((S)-2-(3-ethylisoxazole-4-carboxamido)-2-((1...)
Show SMILES CCc1nocc1C(=O)N[C@@H]([C@H]1CC[C@H](CC1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C28H31F3N4O4/c1-4-23-22(15-39-34-23)26(36)33-25(19-5-9-20(10-6-19)28(29,30)31)27(37)32-21-11-7-18(8-12-21)24-16(2)13-14-35(38)17(24)3/h7-8,11-15,19-20,25H,4-6,9-10H2,1-3H3,(H,32,37)(H,33,36)/t19-,20+,25-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 41n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548114
PNG
(WO2022091056, Example 105)
Show SMILES Cn1nccc1C(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(cc1)-c1c(Cl)[n+]([O-])ccc1C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N5O3/c1-33-19(11-13-30-33)23(35)32-21(16-5-3-2-4-6-16)24(36)31-17-9-7-15(8-10-17)20-18(25(27,28)29)12-14-34(37)22(20)26/h7-14,16,21H,2-6H2,1H3,(H,31,36)(H,32,35)/t21-/m0/s1
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WIPO WO2022091056
n/an/a 41n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548060
PNG
(WO2022091056, Example 52)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C25H26ClF2N5O3/c1-15-21(19(26)10-14-33(15)36)16-3-5-18(6-4-16)30-24(35)22(17-7-11-25(27,28)12-8-17)31-23(34)20-9-13-29-32(20)2/h3-6,9-10,13-14,17,22H,7-8,11-12H2,1-2H3,(H,30,35)(H,31,34)/t22-/m0/s1
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WIPO WO2022091056
n/an/a 43n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548034
PNG
(WO2022091056, Example 26)
Show SMILES CCc1nocc1C(=O)N[C@@H]([C@H]1CCCC(F)(F)C1)C(=O)Nc1ccc(cc1)-c1c(C)[n+]([O-])ccc1C(F)(F)F
Show InChI InChI=1S/C27H27F5N4O4/c1-3-21-19(14-40-35-21)24(37)34-23(17-5-4-11-26(28,29)13-17)25(38)33-18-8-6-16(7-9-18)22-15(2)36(39)12-10-20(22)27(30,31)32/h6-10,12,14,17,23H,3-5,11,13H2,1-2H3,(H,33,38)(H,34,37)/t17-,23-/m0/s1
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WIPO WO2022091056
n/an/a 44n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548067
PNG
(WO2022091056, Example 58)
Show SMILES CCn1nccc1C(=O)N[C@@H]([C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H27ClFN5O3/c1-3-32-22(6-8-29-32)25(34)31-24(17-11-15-10-16(15)12-17)26(35)30-18-4-5-19(21(28)13-18)23-14(2)33(36)9-7-20(23)27/h4-9,13,15-17,24H,3,10-12H2,1-2H3,(H,30,35)(H,31,34)/t15-,16+,17+,24-/m0/s1
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WIPO WO2022091056
n/an/a 44n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548013
PNG
(3-(4-((S)-2-(1-ethyl-1H-pyrazole-5-carboxamido)-2-...)
Show SMILES CCn1nccc1C(=O)N[C@@H]([C@H]1CC[C@H](CC1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C28H32F3N5O3/c1-4-35-23(13-15-32-35)26(37)34-25(20-5-9-21(10-6-20)28(29,30)31)27(38)33-22-11-7-19(8-12-22)24-17(2)14-16-36(39)18(24)3/h7-8,11-16,20-21,25H,4-6,9-10H2,1-3H3,(H,33,38)(H,34,37)/t20-,21+,25-/m0/s1
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WIPO WO2022091056
n/an/a 46n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548038
PNG
(WO2022091056, Example 30)
Show SMILES CCc1nocc1C(=O)N[C@@H]([C@H]1CCCC(F)(F)C1)C(=O)Nc1ccc(cc1)-c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C27H30F2N4O4/c1-4-22-21(15-37-32-22)25(34)31-24(19-6-5-12-27(28,29)14-19)26(35)30-20-9-7-18(8-10-20)23-16(2)11-13-33(36)17(23)3/h7-11,13,15,19,24H,4-6,12,14H2,1-3H3,(H,30,35)(H,31,34)/t19-,24-/m0/s1
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WIPO WO2022091056
n/an/a 46n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548012
PNG
(WO2022091056, Example 6)
Show SMILES CCc1nocc1C(=O)N[C@@H]([C@@H]1CCCC(F)(F)C1)C(=O)Nc1ccc(cc1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C26H27ClF2N4O4/c1-3-21-19(14-37-32-21)24(34)31-23(17-5-4-11-26(28,29)13-17)25(35)30-18-8-6-16(7-9-18)22-15(2)33(36)12-10-20(22)27/h6-10,12,14,17,23H,3-5,11,13H2,1-2H3,(H,30,35)(H,31,34)/t17-,23+/m1/s1
PDB
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WIPO WO2022091056
n/an/a 48n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548006
PNG
(4-chloro-3-(4-((S)-2-cyclohexyl-2-(1-methyl-1H-pyr...)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)cc1F
Show InChI InChI=1S/C25H27ClFN5O3/c1-15-22(19(26)11-13-32(15)35)18-9-8-17(14-20(18)27)29-25(34)23(16-6-4-3-5-7-16)30-24(33)21-10-12-28-31(21)2/h8-14,16,23H,3-7H2,1-2H3,(H,29,34)(H,30,33)/t23-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 49n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548068
PNG
(WO2022091056, Example 59)
Show SMILES Cc1c(c(Cl)cc[n+]1[O-])-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)c(F)c1
Show InChI InChI=1S/C25H27ClFN5O3/c1-15-22(18(26)11-13-32(15)35)17-8-9-20(19(27)14-17)29-25(34)23(16-6-4-3-5-7-16)30-24(33)21-10-12-28-31(21)2/h8-14,16,23H,3-7H2,1-2H3,(H,29,34)(H,30,33)/t23-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 49n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548115
PNG
(WO2022091056, Example 106)
Show SMILES Cc1nocc1C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc[n+]([O-])c1C
Show InChI InChI=1S/C25H24ClF3N4O4/c1-13-18(12-37-32-13)23(34)31-22(15-5-8-25(28,29)9-6-15)24(35)30-16-3-4-17(20(27)11-16)21-14(2)33(36)10-7-19(21)26/h3-4,7,10-12,15,22H,5-6,8-9H2,1-2H3,(H,30,35)(H,31,34)/t22-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 50n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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


(Homo sapiens (Human))
BDBM548189
PNG
(WO2022091056, Example 180)
Show SMILES Cc1cc[n+]([O-])c(C)c1-c1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)c2ccnn2C)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-17-13-15-33(36)18(2)25(17)19-8-10-21(11-9-19)30-26(34)23(16-20-6-4-5-7-22(20)28)31-27(35)24-12-14-29-32(24)3/h4-15,23H,16H2,1-3H3,(H,30,34)(H,31,35)/t23-/m0/s1
PDB
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WIPO WO2022091056
n/an/a 52n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentra...


WIPO WO2022091056 (2022)

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