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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Interleukin-21'   
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-21


(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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n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(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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US Patent US9701663 (2017)

More data for this
Ligand-Target Pair