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Compile Data Set for Download or QSAR

Found 1168 hits with Last Name = 'woods' and Initial = 'cr'   
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


(Homo sapiens (Human))
BDBM339271
PNG
(US10201546, Example 134b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/s2
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n/an/a 2.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339272
PNG
(US10201546, Example 134c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339171
PNG
(US10201546, Example 85c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C22H24ClN5O3S/c1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h7-11,29H,1-6H3/t22-/s2
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n/an/a 4.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1


(Homo sapiens (Human))
BDBM50414894
PNG
(CHEMBL573760)
Show SMILES COc1cc2C(=O)c3c(NCc4c(Cl)cccc4Cl)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)
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n/an/a 6.31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HRI kinase


Bioorg Med Chem Lett 19: 6548-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.033
BindingDB Entry DOI: 10.7270/Q26Q1ZGZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339269
PNG
(US10201546, Example 133c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3/t25-/s2
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n/an/a 6.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1


(Homo sapiens (Human))
BDBM50414893
PNG
(CHEMBL578426)
Show SMILES COc1cc2Cc3c(NCc4c(C)cccc4C)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C21H23N3O2/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-3)19(26-4)10-15(14)20(16)23-24-21/h5-7,9-10H,8,11H2,1-4H3,(H2,22,23,24)
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n/an/a 7.94n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HRI kinase


Bioorg Med Chem Lett 19: 6548-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.033
BindingDB Entry DOI: 10.7270/Q26Q1ZGZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339385
PNG
(US10201546, Example 225c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C23H17ClF6N4O2/c1-34-11-31-10-18(34)22(35,13-5-6-32-17(8-13)23(28,29)30)12-3-4-16-14(7-12)19(24)15(9-21(25,26)27)20(33-16)36-2/h3-8,10-11,35H,9H2,1-2H3/t22-/s2
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n/an/a 8n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339273
PNG
(US10201546, Example 135a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C24H27ClN6O2/c1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15/h9-13,15,32H,5-8H2,1-4H3
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n/an/a 8.20n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339207
PNG
(US10201546, Example 103a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3
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n/an/a 9.30n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt)


(Homo sapiens (Human))
BDBM221253
PNG
(US9303015, 27a | US9303015, 27b | US9303015, 27c)
Show SMILES CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1/C31H26ClF6N5O2/c1-4-43(5-2)28-27(45-21-10-8-20(32)9-11-21)26(31(36,37)38)22-14-18(6-12-23(22)41-28)29(44,25-16-39-17-42(25)3)19-7-13-24(40-15-19)30(33,34)35/h6-17,44H,4-5H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339267
PNG
(US10201546, Example 133a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3
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n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339278
PNG
(US10201546, Example 136c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3/t26-/s2
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n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339279
PNG
(US10201546, Example 137)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C21H20ClF3N6O2/c1-11-26-9-16(30(11)2)21(32,17-10-27-29-31(17)3)12-5-6-15-13(7-12)18(22)14(8-20(23,24)25)19(28-15)33-4/h5-7,9-10,32H,8H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339405
PNG
(US10201546, Example 244c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-6-8-33-18(10-14)24(29,30)31)13-3-4-17-16(9-13)20(25)15(21(34-17)37-2)5-7-22(26,27)28/h3-4,6,8-12,36H,5,7H2,1-2H3/t23-/s2
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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339259
PNG
(US10201546, Example 129c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339200
PNG
(US10201546, Example 100c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3/t26-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339363
PNG
(US10201546, Example 213c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C23H17ClF6N4O3/c1-34-11-31-9-17(34)22(35,13-5-6-32-16(8-13)23(28,29)30)12-3-4-15-14(7-12)18(24)19(20(33-15)36-2)37-10-21(25,26)27/h3-9,11,35H,10H2,1-2H3/t22-/s2
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n/an/a 13n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339252
PNG
(US10201546, Example 126b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnc(C)n1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/s2
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339165
PNG
(US10201546, Example 82c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C24H27ClN6O2S/c1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22/h7-8,11-13,32H,6,9-10H2,1-5H3/t24-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339377
PNG
(US10201546, Example 220)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C
Show InChI InChI=1/C25H27ClF3N5O3/c1-12-8-16(9-17-20(26)22(37-11-24(27,28)29)23(36-7)31-21(12)17)25(35,18-10-30-15(4)33(18)5)19-13(2)32-34(6)14(19)3/h8-10,35H,11H2,1-7H3
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339278
PNG
(US10201546, Example 136c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3/t26-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt)


(Artificial Sequence)
BDBM231231
PNG
(US9346782, 11a | US9346782, 11b | US9346782, 11c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnnn1C
Show InChI InChI=1/C23H20ClF3N4O2/c1-22(32,19-12-28-30-31(19)2)15-8-9-18-16(11-15)20(24)17(21(29-18)33-3)10-13-4-6-14(7-5-13)23(25,26)27/h4-9,11-12,32H,10H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9346782 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80PS
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339389
PNG
(US10201546, Example 227c)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C24H19ClF6N4O/c1-3-17-16(10-22(26,27)28)21(25)15-8-13(4-5-18(15)34-17)23(36,20-11-32-12-35(20)2)14-6-7-33-19(9-14)24(29,30)31/h4-9,11-12,36H,3,10H2,1-2H3/t23-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339270
PNG
(US10201546, Example 134a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt)


(Homo sapiens (Human))
BDBM221234
PNG
(US9303015, 8)
Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncs1)c1cncn1C
Show InChI InChI=1/C27H26ClN5O2S/c1-4-33(5-2)26-25(35-19-9-7-6-8-10-19)24(28)20-13-18(11-12-21(20)31-26)27(34,23-15-30-17-36-23)22-14-29-16-32(22)3/h6-17,34H,4-5H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339214
PNG
(US10201546, Example 106b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339215
PNG
(US10201546, Example 106c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt)


(Homo sapiens (Human))
BDBM221257
PNG
(US9303015, 31a | US9303015, 31b | US9303015, 31c)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1
Show InChI InChI=1/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339403
PNG
(US10201546, Example 244a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-6-8-33-18(10-14)24(29,30)31)13-3-4-17-16(9-13)20(25)15(21(34-17)37-2)5-7-22(26,27)28/h3-4,6,8-12,36H,5,7H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339374
PNG
(US10201546, Example 218c)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C24H17F6N5O2/c1-35-12-32-11-20(35)23(36,14-5-6-33-19(8-14)24(28,29)30)13-3-4-18-15(7-13)17(10-31)16(9-22(25,26)27)21(34-18)37-2/h3-8,11-12,36H,9H2,1-2H3/t23-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339387
PNG
(US10201546, Example 226c)
Show SMILES CCc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C25H19F6N5O/c1-3-19-17(10-23(26,27)28)18(11-32)16-8-14(4-5-20(16)35-19)24(37,22-12-33-13-36(22)2)15-6-7-34-21(9-15)25(29,30)31/h4-9,12-13,37H,3,10H2,1-2H3/t24-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339214
PNG
(US10201546, Example 106b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339222
PNG
(US10201546, Example 109c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(F)(F)C1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C25H25ClF2N6O2/c1-14-5-7-19(15(2)30-14)25(35,21-10-29-32-33(21)3)16-6-8-20-17(9-16)22(26)18(23(31-20)36-4)11-34-12-24(27,28)13-34/h5-10,35H,11-13H2,1-4H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339163
PNG
(US10201546, Example 82a)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C24H27ClN6O2S/c1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22/h7-8,11-13,32H,6,9-10H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339216
PNG
((4-Chloro-3-((4,4-difluoropiperidin-1-yl)methyl)-2...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339218
PNG
(US10201546, Example 107c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3/t27-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1


(Homo sapiens (Human))
BDBM50414892
PNG
(CHEMBL576168)
Show SMILES COc1cc2Cc3c(NCc4c(C)cccc4Cl)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C20H20ClN3O2/c1-11-5-4-6-16(21)15(11)10-22-20-14-7-12-8-17(25-2)18(26-3)9-13(12)19(14)23-24-20/h4-6,8-9H,7,10H2,1-3H3,(H2,22,23,24)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HRI kinase


Bioorg Med Chem Lett 19: 6548-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.033
BindingDB Entry DOI: 10.7270/Q26Q1ZGZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339136
PNG
(US10201546, Example 68c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C25H26ClN5O3/c1-14-5-9-19(15(2)28-14)25(32,21-12-27-30-31(21)3)17-8-10-20-18(11-17)22(26)23(24(29-20)33-4)34-13-16-6-7-16/h5,8-12,16,32H,6-7,13H2,1-4H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339159
PNG
(US10201546, Example 80b | US10201546, Example 81b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1/C22H25ClN6O3/c1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h7-12,30H,1-6H3/t22-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339327
PNG
(US10201546, Example 190c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN(C)CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C25H22ClF6N5O2/c1-36(12-23(27,28)29)11-17-21(26)16-8-14(4-5-18(16)35-22(17)39-3)24(38,20-10-33-13-37(20)2)15-6-7-34-19(9-15)25(30,31)32/h4-10,13,38H,11-12H2,1-3H3/t24-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339345
PNG
(US10201546, Example 205c)
Show SMILES Cn1cncc1[C@](O)(c1ccnc(c1)C(F)(F)F)c1ccc2nc(C3CC3)c(CN3CCC(CC3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1/C30H28ClF6N5O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3/t28-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339331
PNG
(US10201546, Example 192c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339209
PNG
(US10201546, Example 103c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3/t27-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339244
PNG
(US10201546, Example 122b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CCOCC1)c1cnnn1C
Show InChI InChI=1/C26H31ClF3N5O3/c1-34-22(14-31-33-34)25(36,16-7-11-38-12-8-16)18-3-4-21-19(13-18)23(27)20(24(32-21)37-2)15-35-9-5-17(6-10-35)26(28,29)30/h3-4,13-14,16-17,36H,5-12,15H2,1-2H3/t25-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339054
PNG
(US10201546, Example 14a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1/C25H26ClN5O2/c1-14-5-9-20(15(2)28-14)25(32,22-13-27-30-31(22)3)17-8-10-21-18(12-17)23(26)19(11-16-6-7-16)24(29-21)33-4/h5,8-10,12-13,16,32H,6-7,11H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339095
PNG
(US10201546, Example 43)
Show SMILES CC(C)Oc1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C21H21Cl2N5O2S/c1-10(2)30-18-17(22)14-8-13(6-7-15(14)26-20(18)23)21(29,16-9-24-27-28(16)5)19-11(3)25-12(4)31-19/h6-10,29H,1-5H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339409
PNG
(US10201546, Example 248*%)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C
Show InChI InChI=1/C24H25ClF3N5O3/c1-12-19(13(2)33(5)31-12)24(34,18-10-29-14(3)32(18)4)15-7-8-17-16(9-15)20(25)21(22(30-17)35-6)36-11-23(26,27)28/h7-10,34H,11H2,1-6H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339261
PNG
(US10201546, Example 130c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(C1CCOCC1)c1cnc(C)n1C
Show InChI InChI=1/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3/t27-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339251
PNG
(US10201546, Example 125c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(C1CN(C1)C(C)=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-5-8-37-24(12-19)29(34,35)36)18-3-4-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-6-17(7-10-39)28(31,32)33/h3-5,8,11-12,17,20,42H,6-7,9-10,13-15H2,1-2H3/t27-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
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