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Compile Data Set for Download or QSAR

Found 116 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))
BDBM50582230
PNG
(CHEMBL5091495)
Show SMILES CC(F)(F)CNC(=O)[C@@H](CC(F)F)c1ccc2[nH]c(nc2c1F)[C@@H](NC(=O)c1nonc1C1CC1)C1CCC(F)(F)CC1 |r|
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578383
PNG
(CHEMBL4870813)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CC(F)(F)F)c1nnc2ccc(cn12)C#N |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50582232
PNG
(CHEMBL5091603)
Show SMILES COC[C@H](C(=O)NCC(F)(F)F)c1ccc2[nH]c(nc2c1F)[C@@H](NC(=O)c1nonc1C1CC1)C1CCC(F)(F)CC1 |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50582229
PNG
(CHEMBL5080633)
Show SMILES CC(F)(F)CNC(=O)C(CC(F)F)c1ccc2[nH]c(nc2c1F)[C@@H](NC(=O)c1nonc1C1CC1)C1CCC(F)(F)CC1 |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50582227
PNG
(CHEMBL5081660)
Show SMILES CNC(=O)[C@H](NC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c(nc2c1F)[C@@H](NC(=O)c1nonc1C)C1CCC(F)(F)CC1)C(C)C |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50582231
PNG
(CHEMBL5092697)
Show SMILES CC(F)(F)CNC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c(nc2c1F)[C@@H](NC(=O)c1nonc1C1CC1)C1CCC(F)(F)CC1 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50582228
PNG
(CHEMBL5077953)
Show SMILES CCc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CCS(=O)(=O)CC)C(=O)N1CC(F)(F)C(F)(F)C1 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00018
BindingDB Entry DOI: 10.7270/Q2H41W9T
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578386
PNG
(CHEMBL4872143)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@@H](CC(F)F)c1cnc2ccc(F)cn12 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578382
PNG
(CHEMBL4865978)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CC(F)(F)F)c1cnnn1CC(F)(F)F |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578381
PNG
(CHEMBL4860574)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CC(F)F)c1cnnn1CC(F)(F)F |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574356
PNG
(CHEMBL4845695)
Show SMILES COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1nonc1C(F)F)C1CCC(F)(F)CC1 |r|
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578384
PNG
(CHEMBL4850368)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CC(F)F)c1nnc2cnc(cn12)C#N |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50578385
PNG
(CHEMBL4851738)
Show SMILES Cc1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1nc2c(F)c(ccc2[nH]1)[C@H](CC(F)F)c1nnc2ccc(F)cn12 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00608
BindingDB Entry DOI: 10.7270/Q2PR80T6
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574357
PNG
(CHEMBL4855085)
Show SMILES COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1nonc1C(F)(F)F)C1CCC(F)(F)CC1 |r|
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574355
PNG
(CHEMBL4874078)
Show SMILES COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1conc1C1CC1)C1CCC(F)(F)CC1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50581144
PNG
(CHEMBL5087050)
Show SMILES CNC(=O)[C@H]1Cc2ccc(NC(=O)C(Cc3cc(ccc3Cl)-c3cccc(CCC(=O)N1)c3)NC(=O)c1ccnn1C)cc2 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A (unknown origin) measured by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00327
BindingDB Entry DOI: 10.7270/Q2639TMX
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574354
PNG
(CHEMBL4866932)
Show SMILES FC(F)(F)[C@@H]1CN(Cc2cnn3cc(nc3c2)[C@@H](NC(=O)c2nonc2C(F)(F)F)C2CCC(F)(F)CC2)C(=O)N1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574352
PNG
(CHEMBL4876088)
Show SMILES FC(F)(F)[C@@H]1CN(Cc2cnn3cc(nc3c2)[C@@H](NC(=O)c2nonc2C2CC2)C2CCC(F)(F)CC2)C(=O)N1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50574353
PNG
(CHEMBL4860250)
Show SMILES CC(C)c1nonc1C(=O)N[C@@H](C1CCC(F)(F)CC1)c1cn2ncc(CN3C[C@H](NC3=O)C(F)(F)F)cc2n1 |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00470
BindingDB Entry DOI: 10.7270/Q208693Q
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50573258
PNG
(CHEMBL4869568)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
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n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to biotinylated human IL-17A assessed as inhibition of IL-17A interaction with 1L-17RA by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00217
BindingDB Entry DOI: 10.7270/Q24B353V
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419139
PNG
(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O |r|
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
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US Patent
n/an/a<100n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419139
PNG
(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O |r|
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50581142
PNG
(CHEMBL3785600)
Show SMILES Clc1ccccc1C[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(C[C@H]2NC(=O)CC3(CCCC3)CC(=O)NCCCCCNC(=O)CNC2=O)cc1 |r|
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TBA

Assay Description
Inhibition of IL-17A (unknown origin) by ELISA II


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00327
BindingDB Entry DOI: 10.7270/Q2639TMX
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50581141
PNG
(CHEMBL5075374)
Show SMILES FC(F)(C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(CCNC(=O)CC2(CC(=O)N3CCCC3)CCCC2)cc1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of IL-17A (unknown origin) by ELISA II


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00327
BindingDB Entry DOI: 10.7270/Q2639TMX
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419256
PNG
(N-(2,4-dimethylphenyl)-N- isobutyl-3-(S- methylsul...)
Show SMILES CC(C)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H36N2O5S2/c1-18(2)16-27(23-8-6-19(3)14-20(23)4)34(29,30)22-7-9-24(25(15-22)33(5,26)28)32-17-21-10-12-31-13-11-21/h6-9,14-15,18,21,26H,10-13,16-17H2,1-5H3
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US Patent
n/an/a<100n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419252
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCc2ccncn2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C24H31N5O3S2/c1-5-19-6-8-21(9-7-19)29(16-18(2)3)34(31,32)22-10-11-23(24(14-22)33(4,25)30)27-15-20-12-13-26-17-28-20/h6-14,17-18,25,27H,5,15-16H2,1-4H3
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n/an/a<100n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461076
PNG
(CHEMBL4227214 | US10457637, Compound 124)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2(CC)CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C27H41N3O4S2/c1-6-22-8-10-23(11-9-22)30(19-21(3)4)36(32,33)24-12-13-25(26(18-24)35(5,28)31)29-20-27(7-2)14-16-34-17-15-27/h8-13,18,21,28-29H,6-7,14-17,19-20H2,1-5H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419242
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(N2CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C23H33N3O4S2/c1-5-19-6-8-20(9-7-19)26(17-18(2)3)32(28,29)21-10-11-22(23(16-21)31(4,24)27)25-12-14-30-15-13-25/h6-11,16,18,24H,5,12-15,17H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419234
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(N2CCC3(COC3)C2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H35N3O4S2/c1-5-20-6-8-21(9-7-20)28(15-19(2)3)34(30,31)22-10-11-23(24(14-22)33(4,26)29)27-13-12-25(16-27)17-32-18-25/h6-11,14,19,26H,5,12-13,15-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419225
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2CSC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C23H33N3O3S3/c1-5-18-6-8-20(9-7-18)26(14-17(2)3)32(28,29)21-10-11-22(23(12-21)31(4,24)27)25-13-19-15-30-16-19/h6-12,17,19,24-25H,5,13-16H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419218
PNG
(4-((((1R,5S,6S)-3- oxabicyclo[3.1.0]hexan-6- yl)me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NC[C@H]2[C@@H]3COC[C@H]23)c(c1)S(C)(=N)=O |r|
Show InChI InChI=1S/C25H35N3O4S2/c1-5-18-6-8-19(9-7-18)28(14-17(2)3)34(30,31)20-10-11-24(25(12-20)33(4,26)29)27-13-21-22-15-32-16-23(21)22/h6-12,17,21-23,26-27H,5,13-16H2,1-4H3/t21-,22-,23+,33?
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419214
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(N2CCSCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C23H33N3O3S3/c1-5-19-6-8-20(9-7-19)26(17-18(2)3)32(28,29)21-10-11-22(23(16-21)31(4,24)27)25-12-14-30-15-13-25/h6-11,16,18,24H,5,12-15,17H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419189
PNG
(N-(4-ethylphenyl)-4-(((3- hydroxycyclobutyl)methyl...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2CC(O)C2)c(c1)S(C)(=N)=O |(2.28,-4.62,;3.61,-3.85,;3.61,-2.31,;2.28,-1.54,;2.28,,;3.61,.77,;4.94,,;4.94,-1.54,;3.61,2.31,;4.94,3.08,;6.28,2.31,;7.61,3.08,;6.28,.77,;2.28,3.08,;2.28,4.62,;2.68,1.59,;.94,2.31,;.94,.77,;-.39,,;-1.72,.77,;-3.06,,;-3.06,-1.54,;-4.39,-2.31,;-5.88,-1.91,;-6.28,-3.4,;-7.61,-4.17,;-4.79,-3.8,;-1.72,2.31,;-.39,3.08,;-3.06,3.08,;-4.39,2.31,;-3.83,4.41,;-2.29,4.41,)|
Show InChI InChI=1S/C24H35N3O4S2/c1-5-18-6-8-20(9-7-18)27(16-17(2)3)33(30,31)22-10-11-23(24(14-22)32(4,25)29)26-15-19-12-21(28)13-19/h6-11,14,17,19,21,25-26,28H,5,12-13,15-16H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461069
PNG
(CHEMBL4228522 | US10457637, Compound 66)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C24H34N2O6S2/c1-4-19-5-7-21(8-6-19)26(16-18(2)3)34(29,30)22-9-10-23(24(15-22)33(25,27)28)32-17-20-11-13-31-14-12-20/h5-10,15,18,20H,4,11-14,16-17H2,1-3H3,(H2,25,27,28)
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461083
PNG
(CHEMBL4225889 | US10457637, Compound 62)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2(F)CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H36FN3O4S2/c1-5-20-6-8-21(9-7-20)29(17-19(2)3)35(31,32)22-10-11-23(24(16-22)34(4,27)30)28-18-25(26)12-14-33-15-13-25/h6-11,16,19,27-28H,5,12-15,17-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419192
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-(S- methylsulfonim...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCc2ccncc2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H32N4O3S2/c1-5-20-6-8-22(9-7-20)29(18-19(2)3)34(31,32)23-10-11-24(25(16-23)33(4,26)30)28-17-21-12-14-27-15-13-21/h6-16,19,26,28H,5,17-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461075
PNG
(CHEMBL4225072 | US10457637, Compound 55)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2(C)CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C26H39N3O4S2/c1-6-21-7-9-22(10-8-21)29(18-20(2)3)35(31,32)23-11-12-24(25(17-23)34(5,27)30)28-19-26(4)13-15-33-16-14-26/h7-12,17,20,27-28H,6,13-16,18-19H2,1-5H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461066
PNG
(CHEMBL4228566 | US10457637, Compound 53)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(N(C)CC2CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C26H39N3O4S2/c1-6-21-7-9-23(10-8-21)29(18-20(2)3)35(31,32)24-11-12-25(26(17-24)34(5,27)30)28(4)19-22-13-15-33-16-14-22/h7-12,17,20,22,27H,6,13-16,18-19H2,1-5H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461074
PNG
(CHEMBL4227729 | US10457637, Compound 52)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H37N3O4S2/c1-5-20-6-8-22(9-7-20)28(18-19(2)3)34(30,31)23-10-11-24(25(16-23)33(4,26)29)27-17-21-12-14-32-15-13-21/h6-11,16,19,21,26-27H,5,12-15,17-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419162
PNG
(N-(4-ethylphenyl)-4-((4- fluorotetrahydro-2H-pyran...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2(F)CCOCC2)c(c1)S(C)(=N)=O
Show InChI InChI=1S/C25H35FN2O5S2/c1-5-20-6-8-21(9-7-20)28(17-19(2)3)35(30,31)22-10-11-23(24(16-22)34(4,27)29)33-18-25(26)12-14-32-15-13-25/h6-11,16,19,27H,5,12-15,17-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461063
PNG
(CHEMBL4226803 | US10457637, Compound 8)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)(=N)=O |r|
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461065
PNG
(CHEMBL4225020 | US10457637, Compound 18)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)S(=N)(=O)CC
Show InChI InChI=1S/C26H38N2O5S2/c1-5-21-7-9-23(10-8-21)28(18-20(3)4)35(30,31)24-11-12-25(26(17-24)34(27,29)6-2)33-19-22-13-15-32-16-14-22/h7-12,17,20,22,27H,5-6,13-16,18-19H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419154
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-methanesulfinyl- 4...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)S(C)=O
Show InChI InChI=1S/C25H35NO5S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)33(28,29)23-10-11-24(25(16-23)32(4)27)31-18-21-12-14-30-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419155
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-methanesulfinyl- 4...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)=O |r|
Show InChI InChI=1S/C25H35NO5S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)33(28,29)23-10-11-24(25(16-23)32(4)27)31-18-21-12-14-30-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3/t32-/m1/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM419157
PNG
(N-(4-ethylphenyl)-3- hydroxymethyl-N-isobutyl- 4-(...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(SCC2CCOCC2)c(CO)c1
Show InChI InChI=1S/C25H35NO4S2/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50461068
PNG
(CHEMBL4228069 | US10457637, Compound 24)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H35NO6S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,27)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3
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US Patent
n/an/a<100n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50581145
PNG
(CHEMBL5079201)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O |r|
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TBA

Assay Description
Inhibition of IL-17A (unknown origin) measured by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00327
BindingDB Entry DOI: 10.7270/Q2639TMX
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50581146
PNG
(CHEMBL5069442)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
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TBA

Assay Description
Inhibition of IL-17A (unknown origin) measured by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00327
BindingDB Entry DOI: 10.7270/Q2639TMX
More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (Human))
BDBM50403297
PNG
(CHEMBL5288854)
Show SMILES OC(=O)CN1C[C@@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-20(26)13-24-12-19(16-9-5-2-6-10-16)30-14-17(22(24)28)23-21(27)18(29)11-15-7-3-1-4-8-15/h1-10,17-19,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18-,19+/m0/s1
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n/an/a 221n/an/an/an/an/an/a


TBA

Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)


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


(Homo sapiens (Human))
BDBM419160
PNG
(N-(4-ethylphenyl)-N- isobutyl-3-methylsulfanyl-4- ...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(SC)c1
Show InChI InChI=1S/C25H35NO4S2/c1-5-20-6-8-22(9-7-20)26(17-19(2)3)32(27,28)23-10-11-24(25(16-23)31-4)30-18-21-12-14-29-15-13-21/h6-11,16,19,21H,5,12-15,17-18H2,1-4H3
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US Patent
n/an/a 550n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isol...


US Patent US10457637 (2019)


BindingDB Entry DOI: 10.7270/Q2WS8WMG
More data for this
Ligand-Target Pair
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