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Patent code US10603320

Compile Data Set for Download or QSAR
Found 9 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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM438836
PNG
(1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropa...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C32H35N3O4S2/c1-3-41(37,38)27-10-6-24(7-11-27)21-34-30(36)28-18-26-19-31(12-13-31)39-32(29(26)40-28)14-16-35(17-15-32)22(2)25-8-4-23(20-33)5-9-25/h4-11,18,22H,3,12-17,19,21H2,1-2H3,(H,34,36)
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6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM438835
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-1″...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H32F3N5O4S2/c1-3-43(39,40)22-5-4-21(33-17-22)16-34-25(38)23-12-19-13-27(6-7-27)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h4-5,12,14-15,17-18H,3,6-11,13,16H2,1-2H3,(H,34,38)/t18-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM438834
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-5′...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)(C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-17-22)16-34-25(38)23-12-19-13-27(3,4)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h6-7,12,14-15,17-18H,5,8-11,13,16H2,1-4H3,(H,34,38)/t18-/m1/s1
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6.96n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM438835
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-1″...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H32F3N5O4S2/c1-3-43(39,40)22-5-4-21(33-17-22)16-34-25(38)23-12-19-13-27(6-7-27)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h4-5,12,14-15,17-18H,3,6-11,13,16H2,1-2H3,(H,34,38)/t18-/m1/s1
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3.46E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM438834
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-5′...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)(C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-17-22)16-34-25(38)23-12-19-13-27(3,4)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h6-7,12,14-15,17-18H,5,8-11,13,16H2,1-4H3,(H,34,38)/t18-/m1/s1
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5.68E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
RAR related orphan receptor B isoform 1 (RORB)


(Human)
BDBM438835
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-1″...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H32F3N5O4S2/c1-3-43(39,40)22-5-4-21(33-17-22)16-34-25(38)23-12-19-13-27(6-7-27)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h4-5,12,14-15,17-18H,3,6-11,13,16H2,1-2H3,(H,34,38)/t18-/m1/s1
UniProtKB/TrEMBL

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US Patent
>1.25E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
RAR related orphan receptor B isoform 1 (RORB)


(Human)
BDBM438836
PNG
(1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropa...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C32H35N3O4S2/c1-3-41(37,38)27-10-6-24(7-11-27)21-34-30(36)28-18-26-19-31(12-13-31)39-32(29(26)40-28)14-16-35(17-15-32)22(2)25-8-4-23(20-33)5-9-25/h4-11,18,22H,3,12-17,19,21H2,1-2H3,(H,34,36)
UniProtKB/TrEMBL

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US Patent
>1.25E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
RAR related orphan receptor B isoform 1 (RORB)


(Human)
BDBM438834
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-5′...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)(C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-17-22)16-34-25(38)23-12-19-13-27(3,4)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h6-7,12,14-15,17-18H,5,8-11,13,16H2,1-4H3,(H,34,38)/t18-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
>1.25E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM438836
PNG
(1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropa...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C32H35N3O4S2/c1-3-41(37,38)27-10-6-24(7-11-27)21-34-30(36)28-18-26-19-31(12-13-31)39-32(29(26)40-28)14-16-35(17-15-32)22(2)25-8-4-23(20-33)5-9-25/h4-11,18,22H,3,12-17,19,21H2,1-2H3,(H,34,36)
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>2.04E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...


US Patent US10603320 (2020)

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