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Patent code US9359361

Compile Data Set for Download or QSAR
Found 20 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235724
PNG
(US9359361, 67)
Show SMILES C(CN1CCOCC1)Nc1nc2nc(nc(NCCN3CCOCC3)c2nc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37)
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n/an/a 25n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235714
PNG
(US9359361, 54)
Show SMILES CN1CCN(CC1)c1nc2nc(nc(NCCN3CCOCC3)c2nc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29)
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n/an/a 62n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235721
PNG
(US9359361, 63)
Show SMILES CN(C)CCN(C)c1nc(nc2nc(cnc12)N1CCN(C)CC1)-c1ccccc1
Show InChI InChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3
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n/an/a 112n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235716
PNG
(US9359361, 57)
Show SMILES CN1CCN(CCNc2nc(nc3nc(cnc23)N2CCN(C)CC2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H33N9/c1-30-10-14-32(15-11-30)9-8-25-23-21-24(29-22(28-23)19-6-4-3-5-7-19)27-20(18-26-21)33-16-12-31(2)13-17-33/h3-7,18H,8-17H2,1-2H3,(H,25,27,28,29)
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n/an/a 113n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235730
PNG
(US9359361, 73)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)c(=O)c(nc23)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
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n/an/a 124n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235727
PNG
(US9359361, 70)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O3/c38-30-25(23-7-3-1-4-8-23)32-26-28(31-11-12-35-15-19-39-20-16-35)33-27(24-9-5-2-6-10-24)34-29(26)37(30)14-13-36-17-21-40-22-18-36/h1-10H,11-22H2,(H,31,33,34)
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n/an/a 137n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235732
PNG
(US9359361, 66)
Show SMILES C(CN1CCOCC1)Nc1nc2c(NCCN3CCOCC3)nc(nc2nc1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C28H39N9O2/c1-2-6-22(7-3-1)24-32-25(29-8-12-35-14-18-38-19-15-35)23-26(33-24)34-28(37-10-4-5-11-37)27(31-23)30-9-13-36-16-20-39-21-17-36/h1-3,6-7H,4-5,8-21H2,(H,30,31)(H,29,32,33,34)
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n/an/a 181n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235723
PNG
(US9359361, 65)
Show SMILES CN1CCN(CC1)c1cnc2c(NCCCNc3nc(N)nc(N)n3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C23H29N13/c1-35-10-12-36(13-11-35)16-14-28-17-19(26-8-5-9-27-23-33-21(24)32-22(25)34-23)30-18(31-20(17)29-16)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3,(H,26,29,30,31)(H5,24,25,27,32,33,34)
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n/an/a 198n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235725
PNG
(US9359361, 68)
Show SMILES CN1CCN(CC1)c1nc2nc(nc(NCCN3CCOCC3)c2nc1NCCN1CCOCC1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C33H50N10O2/c1-33(2,3)26-7-5-25(6-8-26)28-37-29(34-9-11-41-17-21-44-22-18-41)27-30(38-28)39-32(43-15-13-40(4)14-16-43)31(36-27)35-10-12-42-19-23-45-24-20-42/h5-8H,9-24H2,1-4H3,(H,35,36)(H,34,37,38,39)
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n/an/a 273n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235713
PNG
(US9359361, 1)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2nccnc2n1
Show InChI InChI=1S/C23H30N8O/c1-29-10-12-31(13-11-29)19-4-2-18(3-5-19)21-27-22-20(24-6-7-25-22)23(28-21)26-8-9-30-14-16-32-17-15-30/h2-7H,8-17H2,1H3,(H,25,26,27,28)
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n/an/a 285n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235715
PNG
(US9359361, 56)
Show SMILES CN1CCN(CC1)c1nc2nc(nc(NCCN3CCOCC3)c2nc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C29H42N10O2/c1-36-11-13-39(14-12-36)29-28(31-8-10-38-17-21-41-22-18-38)32-24-26(30-7-9-37-15-19-40-20-16-37)33-25(34-27(24)35-29)23-5-3-2-4-6-23/h2-6H,7-22H2,1H3,(H,31,32)(H,30,33,34,35)
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n/an/a 317n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235729
PNG
(US9359361, 72)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C31H34N8O3/c32-22-23-6-8-24(9-7-23)26-31(40)39(13-12-38-16-20-42-21-17-38)30-27(34-26)29(33-10-11-37-14-18-41-19-15-37)35-28(36-30)25-4-2-1-3-5-25/h1-9H,10-21H2,(H,33,35,36)
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n/an/a 487n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235731
PNG
(US9359361, 74)
Show SMILES Fc1cc(F)cc(c1)-c1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C30H33F2N7O3/c31-23-18-22(19-24(32)20-23)25-30(40)39(9-8-38-12-16-42-17-13-38)29-26(34-25)28(33-6-7-37-10-14-41-15-11-37)35-27(36-29)21-4-2-1-3-5-21/h1-5,18-20H,6-17H2,(H,33,35,36)
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n/an/a 901n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235717
PNG
(US9359361, 59)
Show SMILES CN1CCN(CC1)c1cnc2c(NCCc3ccncc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C24H26N8/c1-31-13-15-32(16-14-31)20-17-27-21-23(26-12-9-18-7-10-25-11-8-18)29-22(30-24(21)28-20)19-5-3-2-4-6-19/h2-8,10-11,17H,9,12-16H2,1H3,(H,26,28,29,30)
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n/an/a 991n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235718
PNG
(US9359361, 60)
Show SMILES CN1CCN(CC1)c1cnc2c(NCCc3ccccn3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C24H26N8/c1-31-13-15-32(16-14-31)20-17-27-21-23(26-12-10-19-9-5-6-11-25-19)29-22(30-24(21)28-20)18-7-3-2-4-8-18/h2-9,11,17H,10,12-16H2,1H3,(H,26,28,29,30)
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n/an/a 2.18E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235726
PNG
(US9359361, 69)
Show SMILES Cc1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C25H33N7O3/c1-19-25(33)32(10-9-31-13-17-35-18-14-31)24-21(27-19)23(26-7-8-30-11-15-34-16-12-30)28-22(29-24)20-5-3-2-4-6-20/h2-6H,7-18H2,1H3,(H,26,28,29)
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n/an/a 2.48E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235720
PNG
(US9359361, 62)
Show SMILES CN1CCN(CC1)c1cnc2c(NCc3cnc(C)cn3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C23H25N9/c1-16-12-25-18(13-24-16)14-27-22-20-23(30-21(29-22)17-6-4-3-5-7-17)28-19(15-26-20)32-10-8-31(2)9-11-32/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,28,29,30)
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n/an/a 2.49E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235722
PNG
(US9359361, 64)
Show SMILES CN1CCN(CC1)c1cnc2c(NCCCn3cncn3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C22H26N10/c1-30-10-12-31(13-11-30)18-14-25-19-21(24-8-5-9-32-16-23-15-26-32)28-20(29-22(19)27-18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,24,27,28,29)
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n/an/a 2.95E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235728
PNG
(US9359361, 71)
Show SMILES FC(F)(F)c1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32)
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n/an/a 3.82E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235719
PNG
(US9359361, 61)
Show SMILES CN1CCN(CC1)c1cnc2c(NCCSC(N)=N)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C20H25N9S/c1-28-8-10-29(11-9-28)15-13-24-16-18(23-7-12-30-20(21)22)26-17(27-19(16)25-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H3,21,22)(H,23,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


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