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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Interleukin-22 receptor subunit alpha-2' AND taxid = 9606   
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-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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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


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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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


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


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair