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Patent code US9353115

Compile Data Set for Download or QSAR
Found 11 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


(Homo sapiens (Human))		BDBM232965
PNG
(US9353115, 1)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C22H30N8O/c1-28-8-10-30(11-9-28)18-4-2-17(3-5-18)20-26-21(19-22(27-20)25-16-24-19)23-6-7-29-12-14-31-15-13-29/h2-5,16H,6-15H2,1H3,(H2,23,24,25,26,27)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 72n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232966
PNG
(US9353115, 54)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C23H32N8O/c1-2-29-9-11-31(12-10-29)19-5-3-18(4-6-19)21-27-22(20-23(28-21)26-17-25-20)24-7-8-30-13-15-32-16-14-30/h3-6,17H,2,7-16H2,1H3,(H2,24,25,26,27,28)
PDB

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US Patent
n/an/a 142n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232969
PNG
(US9353115, 57)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCOCC4)c(O)nc23)-c2ccccc2)CC1
Show InChI InChI=1S/C24H34N8O2/c1-29-9-11-30(12-10-29)8-7-25-22-20-23(28-21(27-22)19-5-3-2-4-6-19)32(24(33)26-20)14-13-31-15-17-34-18-16-31/h2-6H,7-18H2,1H3,(H,26,33)(H,25,27,28)
PDB

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n/an/a 271n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232975
PNG
(US9353115, 63)
Show SMILES CN1CCN(CCn2c(O)nc3c(NCCN4CCOCC4)nc(nc23)-c2ccccc2)CC1
Show InChI InChI=1S/C24H34N8O2/c1-29-9-11-31(12-10-29)13-14-32-23-20(26-24(32)33)22(25-7-8-30-15-17-34-18-16-30)27-21(28-23)19-5-3-2-4-6-19/h2-6H,7-18H2,1H3,(H,26,33)(H,25,27,28)
PDB

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n/an/a 497n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232972
PNG
(US9353115, 60)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)cnc23)-c2ccccc2)CC1
Show InChI InChI=1S/C25H37N9/c1-30-10-14-32(15-11-30)9-8-26-24-22-25(29-23(28-24)21-6-4-3-5-7-21)34(20-27-22)19-18-33-16-12-31(2)13-17-33/h3-7,20H,8-19H2,1-2H3,(H,26,28,29)
PDB

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US Patent
n/an/a 604n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232973
PNG
(US9353115, 61)
Show SMILES CN(C)CCn1cnc2c(NCCN3CCOCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H29N7O/c1-26(2)10-11-28-16-23-18-20(22-8-9-27-12-14-29-15-13-27)24-19(25-21(18)28)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,22,24,25)
PDB

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US Patent
n/an/a 2.74E+3n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232974
PNG
(US9353115, 62)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCOCC4)cnc23)-c2ccccc2)CC1
Show InChI InChI=1S/C24H34N8O/c1-29-9-11-30(12-10-29)8-7-25-23-21-24(28-22(27-23)20-5-3-2-4-6-20)32(19-26-21)14-13-31-15-17-33-18-16-31/h2-6,19H,7-18H2,1H3,(H,25,27,28)
PDB

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US Patent
n/an/a 3.29E+3n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232967
PNG
(US9353115, 55)
Show SMILES CCOC(=O)Cn1cnc2c(NCCN3CCOCC3)nc(nc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H36N8O3/c1-3-37-22(35)18-34-19-28-23-25(27-8-9-32-14-16-36-17-15-32)29-24(30-26(23)34)20-4-6-21(7-5-20)33-12-10-31(2)11-13-33/h4-7,19H,3,8-18H2,1-2H3,(H,27,29,30)
PDB

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US Patent
n/an/a 5.20E+3n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232971
PNG
(US9353115, 59)
Show SMILES C(CN1CCOCC1)Nc1nc(nc2n(CCN3CCOCC3)cnc12)-c1ccccc1
Show InChI InChI=1S/C23H31N7O2/c1-2-4-19(5-3-1)21-26-22(24-6-7-28-10-14-31-15-11-28)20-23(27-21)30(18-25-20)9-8-29-12-16-32-17-13-29/h1-5,18H,6-17H2,(H,24,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 7.53E+3n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232968
PNG
(US9353115, 56)
Show SMILES Oc1nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c31-23-25-19-21(24-6-7-28-10-14-32-15-11-28)26-20(18-4-2-1-3-5-18)27-22(19)30(23)9-8-29-12-16-33-17-13-29/h1-5H,6-17H2,(H,25,31)(H,24,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 8.01E+3n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM232970
PNG
(US9353115, 58)
Show SMILES CCCCSc1nc(NCCN2CCOCC2)c2nc(O)n(CCN3CCOCC3)c2n1
Show InChI InChI=1S/C21H35N7O3S/c1-2-3-16-32-20-24-18(22-4-5-26-8-12-30-13-9-26)17-19(25-20)28(21(29)23-17)7-6-27-10-14-31-15-11-27/h2-16H2,1H3,(H,23,29)(H,22,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 1.12E+4n/an/an/an/an/a37



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...

US Patent US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%