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Compile Data Set for Download or QSAR

Found 463 hits with Last Name = 'zamaratski' and Initial = 'e'   
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))		BDBM50466897
PNG
(CHEMBL4287715)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33)
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 20n/an/an/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50466891
PNG
(CHEMBL4281109)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
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 20n/an/an/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50466893
PNG
(CHEMBL4291727)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12
Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33)
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 50n/an/an/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50466892
PNG
(CHEMBL4283871)
Show SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H28N4O2/c28-16-18-4-3-7-21(14-18)26(32)30-22-8-9-25-23(15-22)24(17-29-25)19-10-12-31(13-11-19)27(33)20-5-1-2-6-20/h3-4,7-9,14-15,17,19-20,29H,1-2,5-6,10-13H2,(H,30,32)
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 1.20E+3n/an/an/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50466913
PNG
(CHEMBL4289304)
Show SMILES CCn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
Show InChI InChI=1S/C28H31N5O2/c1-2-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
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 1.90E+4n/an/an/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189904
PNG
(US10227346, Example 29 | US10426135, Example 29 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189904
PNG
(US10227346, Example 29 | US10426135, Example 29 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189904
PNG
(US10227346, Example 29 | US10426135, Example 29 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1
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n/an/a 0.900n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411418
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12 |r|
Show InChI InChI=1S/C29H36FN3O3S/c1-19-17-33(29(34)20(2)21-8-4-5-9-21)15-14-23(19)25-18-32(3)27-13-12-22(16-24(25)27)31-37(35,36)28-11-7-6-10-26(28)30/h6-7,10-13,16,18-21,23,31H,4-5,8-9,14-15,17H2,1-3H3/t19-,20+,23+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411412
PNG
((R)-2-fluoro-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12)C(C)(C)C |r|
Show InChI InChI=1S/C27H34FN3O3S/c1-18(27(2,3)4)26(32)31-14-12-19(13-15-31)22-17-30(5)24-11-10-20(16-21(22)24)29-35(33,34)25-9-7-6-8-23(25)28/h6-11,16-19,29H,12-15H2,1-5H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411419
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc12 |r|
Show InChI InChI=1S/C30H38FN3O3S/c1-19-9-11-27(31)29(15-19)38(36,37)32-23-10-12-28-25(16-23)26(18-33(28)4)24-13-14-34(17-20(24)2)30(35)21(3)22-7-5-6-8-22/h9-12,15-16,18,20-22,24,32H,5-8,13-14,17H2,1-4H3/t20-,21+,24+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411417
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES CCOc1ccccc1S(=O)(=O)Nc1ccc2n(C)cc([C@@H]3CCN(C[C@@H]3C)C(=O)[C@H](C)C3CCCC3)c2c1 |r|
Show InChI InChI=1S/C31H41N3O4S/c1-5-38-29-12-8-9-13-30(29)39(36,37)32-24-14-15-28-26(18-24)27(20-33(28)4)25-16-17-34(19-21(25)2)31(35)22(3)23-10-6-7-11-23/h8-9,12-15,18,20-23,25,32H,5-7,10-11,16-17,19H2,1-4H3/t21-,22+,25+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190325
PNG
(US10227346, Example 81 | US10426135, Example 81 | ...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-15-37(28(39)19-7-3-4-8-19)11-10-21(17)22-16-36(2)26-24(22)25(29(30,31)32)23(14-34-26)35-27(38)20-9-5-6-18(12-20)13-33/h5-6,9,12,14,16-17,19,21H,3-4,7-8,10-11,15H2,1-2H3,(H,35,38)/t17-,21+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190325
PNG
(US10227346, Example 81 | US10426135, Example 81 | ...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-15-37(28(39)19-7-3-4-8-19)11-10-21(17)22-16-36(2)26-24(22)25(29(30,31)32)23(14-34-26)35-27(38)20-9-5-6-18(12-20)13-33/h5-6,9,12,14,16-17,19,21H,3-4,7-8,10-11,15H2,1-2H3,(H,35,38)/t17-,21+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190325
PNG
(US10227346, Example 81 | US10426135, Example 81 | ...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-15-37(28(39)19-7-3-4-8-19)11-10-21(17)22-16-36(2)26-24(22)25(29(30,31)32)23(14-34-26)35-27(38)20-9-5-6-18(12-20)13-33/h5-6,9,12,14,16-17,19,21H,3-4,7-8,10-11,15H2,1-2H3,(H,35,38)/t17-,21+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411410
PNG
((R)-1,3,5-trimethyl-N-(1-methyl-3-(1-(2,3,3- trime...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc12)C(C)(C)C |r|
Show InChI InChI=1S/C27H39N5O3S/c1-17(27(4,5)6)26(33)32-13-11-20(12-14-32)23-16-30(7)24-10-9-21(15-22(23)24)29-36(34,35)25-18(2)28-31(8)19(25)3/h9-10,15-17,20,29H,11-14H2,1-8H3/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189884
PNG
(US10227346, Example 11 | US10426135, Example 11 | ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189884
PNG
(US10227346, Example 11 | US10426135, Example 11 | ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189884
PNG
(US10227346, Example 11 | US10426135, Example 11 | ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411411
PNG
((R)-2-ethoxy-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES CCOc1ccccc1S(=O)(=O)Nc1ccc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C29H39N3O4S/c1-7-36-26-10-8-9-11-27(26)37(34,35)30-22-12-13-25-23(18-22)24(19-31(25)6)21-14-16-32(17-15-21)28(33)20(2)29(3,4)5/h8-13,18-21,30H,7,14-17H2,1-6H3/t20-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM368656
PNG
(3-cyano-N-(3-((1R,5S,8r)-3-isobutyryl-3- azabicycl...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3[C@H]4CC[C@@H]3CN(C4)C(=O)C(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O3/c1-15(2)28(39)37-12-17-5-6-18(13-37)23(17)20-14-36(3)26-24(20)25(29(30,31)32)21(11-34-26)35-27(38)16-7-8-22(40-4)19(9-16)10-33/h7-9,11,14-15,17-18,23H,5-6,12-13H2,1-4H3,(H,35,38)/t17-,18+,23?
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM368656
PNG
(3-cyano-N-(3-((1R,5S,8r)-3-isobutyryl-3- azabicycl...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3[C@H]4CC[C@@H]3CN(C4)C(=O)C(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O3/c1-15(2)28(39)37-12-17-5-6-18(13-37)23(17)20-14-36(3)26-24(20)25(29(30,31)32)21(11-34-26)35-27(38)16-7-8-22(40-4)19(9-16)10-33/h7-9,11,14-15,17-18,23H,5-6,12-13H2,1-4H3,(H,35,38)/t17-,18+,23?
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Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190322
PNG
(US9670201, 78 3-cyano-N-(3-((1R,5S,8r)-3-isobutyry...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3C4CC[C@H]3CN(C4)C(=O)C(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O3/c1-15(2)28(39)37-12-17-5-6-18(13-37)23(17)20-14-36(3)26-24(20)25(29(30,31)32)21(11-34-26)35-27(38)16-7-8-22(40-4)19(9-16)10-33/h7-9,11,14-15,17-18,23H,5-6,12-13H2,1-4H3,(H,35,38)/t17-,18?,23?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411409
PNG
((R)-4-methyl-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12)C(C)(C)C |r|
Show InChI InChI=1S/C28H37N3O3S/c1-19-7-10-23(11-8-19)35(33,34)29-22-9-12-26-24(17-22)25(18-30(26)6)21-13-15-31(16-14-21)27(32)20(2)28(3,4)5/h7-12,17-18,20-21,29H,13-16H2,1-6H3/t20-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411415
PNG
((R)-N-(3-(1-(2-(bicyclo[1.1.1]pentan-1- yl)propano...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C12CC(C1)C2 |r|
Show InChI InChI=1S/C28H32FN3O3S/c1-18(28-14-19(15-28)16-28)27(33)32-11-9-20(10-12-32)25-17-31(2)26-8-5-22(13-24(25)26)30-36(34,35)23-6-3-21(29)4-7-23/h3-8,13,17-20,30H,9-12,14-16H2,1-2H3/t18-,19?,28?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411416
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc12 |r|
Show InChI InChI=1S/C29H41N5O3S/c1-18-16-34(29(35)19(2)22-9-7-8-10-22)14-13-24(18)26-17-32(5)27-12-11-23(15-25(26)27)31-38(36,37)28-20(3)30-33(6)21(28)4/h11-12,15,17-19,22,24,31H,7-10,13-14,16H2,1-6H3/t18-,19+,24+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190346
PNG
(US10227346, Example 95 | US10426135, Example 95 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-18(10-16(35)3)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)19-7-5-6-17(11-19)12-31/h5-7,11,13-16,18H,8-10H2,1-4H3,(H,33,36)/t16-,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189895
PNG
(US10227346, Example 22 | US10426135, Example 22 | ...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190346
PNG
(US10227346, Example 95 | US10426135, Example 95 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-18(10-16(35)3)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)19-7-5-6-17(11-19)12-31/h5-7,11,13-16,18H,8-10H2,1-4H3,(H,33,36)/t16-,18+/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189895
PNG
(US10227346, Example 22 | US10426135, Example 22 | ...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190346
PNG
(US10227346, Example 95 | US10426135, Example 95 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-18(10-16(35)3)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)19-7-5-6-17(11-19)12-31/h5-7,11,13-16,18H,8-10H2,1-4H3,(H,33,36)/t16-,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189895
PNG
(US10227346, Example 22 | US10426135, Example 22 | ...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189905
PNG
(US10227346, Example 30 | US10426135, Example 30 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189905
PNG
(US10227346, Example 30 | US10426135, Example 30 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189905
PNG
(US10227346, Example 30 | US10426135, Example 30 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411400
PNG
((S)-N-(3-(1-(2,3-dimethylbutanoyl)pipendin-4-yl)-1...)
Show SMILES CC(C)[C@H](C)C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 |r|
Show InChI InChI=1S/C26H32FN3O3S/c1-17(2)18(3)26(31)30-13-11-19(12-14-30)24-16-29(4)25-10-7-21(15-23(24)25)28-34(32,33)22-8-5-20(27)6-9-22/h5-10,15-19,28H,11-14H2,1-4H3/t18-/m0/s1
PDB

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Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189874
PNG
(US10227346, Example 3 | US10426135, Example 3 | US...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3ccc(F)c(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O2/c1-36-15-20(16-8-10-37(11-9-16)27(39)17-4-2-3-5-17)23-24(28(30,31)32)22(14-34-25(23)36)35-26(38)18-6-7-21(29)19(12-18)13-33/h6-7,12,14-17H,2-5,8-11H2,1H3,(H,35,38)
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189874
PNG
(US10227346, Example 3 | US10426135, Example 3 | US...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3ccc(F)c(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O2/c1-36-15-20(16-8-10-37(11-9-16)27(39)17-4-2-3-5-17)23-24(28(30,31)32)22(14-34-25(23)36)35-26(38)18-6-7-21(29)19(12-18)13-33/h6-7,12,14-17H,2-5,8-11H2,1H3,(H,35,38)
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n/an/a 3.20n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189874
PNG
(US10227346, Example 3 | US10426135, Example 3 | US...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3ccc(F)c(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O2/c1-36-15-20(16-8-10-37(11-9-16)27(39)17-4-2-3-5-17)23-24(28(30,31)32)22(14-34-25(23)36)35-26(38)18-6-7-21(29)19(12-18)13-33/h6-7,12,14-17H,2-5,8-11H2,1H3,(H,35,38)
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n/an/a 3.20n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50466890
PNG
(CHEMBL4290728)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)ccc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12
Show InChI InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)
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n/an/a 3.30n/an/an/an/an/an/a



Karo Bio AB (now Karo Pharma AB)

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA

J Med Chem 61: 10415-10439 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189882
PNG
(US10227346, Example 10 | US10426135, Example 10 | ...)
Show SMILES COc1ccc(cc1Cl)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-9-7-15(8-10-34)17-13-33(3)23-21(17)22(26(28,29)30)19(12-31-23)32-24(35)16-5-6-20(37-4)18(27)11-16/h5-6,11-15H,7-10H2,1-4H3,(H,32,35)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189882
PNG
(US10227346, Example 10 | US10426135, Example 10 | ...)
Show SMILES COc1ccc(cc1Cl)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-9-7-15(8-10-34)17-13-33(3)23-21(17)22(26(28,29)30)19(12-31-23)32-24(35)16-5-6-20(37-4)18(27)11-16/h5-6,11-15H,7-10H2,1-4H3,(H,32,35)
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n/an/a 3.5n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189882
PNG
(US10227346, Example 10 | US10426135, Example 10 | ...)
Show SMILES COc1ccc(cc1Cl)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-9-7-15(8-10-34)17-13-33(3)23-21(17)22(26(28,29)30)19(12-31-23)32-24(35)16-5-6-20(37-4)18(27)11-16/h5-6,11-15H,7-10H2,1-4H3,(H,32,35)
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n/an/a 3.5n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM411403
PNG
((R)-N-(3-(1-(cyclopentanecarbonyl)-2,2-dimethylpip...)
Show SMILES Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 |r|
Show InChI InChI=1S/C28H34FN3O3S/c1-28(2)17-20(14-15-32(28)27(33)19-6-4-5-7-19)25-18-31(3)26-13-10-22(16-24(25)26)30-36(34,35)23-11-8-21(29)9-12-23/h8-13,16,18-20,30H,4-7,14-15,17H2,1-3H3/t20-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...

US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189891
PNG
(US10227346, Example 18 | US10426135, Example 18 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
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n/an/a 3.80n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189891
PNG
(US10227346, Example 18 | US10426135, Example 18 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
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n/an/a 3.80n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189891
PNG
(US10227346, Example 18 | US10426135, Example 18 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189888
PNG
(US10227346, Example 15 | US10426135, Example 15 | ...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-16(2)11-22(36)35-9-7-18(8-10-35)20-15-34(3)25-23(20)24(27(28,29)30)21(14-32-25)33-26(37)19-6-4-5-17(12-19)13-31/h4-6,12,14-16,18H,7-11H2,1-3H3,(H,33,37)
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189888
PNG
(US10227346, Example 15 | US10426135, Example 15 | ...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-16(2)11-22(36)35-9-7-18(8-10-35)20-15-34(3)25-23(20)24(27(28,29)30)21(14-32-25)33-26(37)19-6-4-5-17(12-19)13-31/h4-6,12,14-16,18H,7-11H2,1-3H3,(H,33,37)
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n/an/a 3.90n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189888
PNG
(US10227346, Example 15 | US10426135, Example 15 | ...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-16(2)11-22(36)35-9-7-18(8-10-35)20-15-34(3)25-23(20)24(27(28,29)30)21(14-32-25)33-26(37)19-6-4-5-17(12-19)13-31/h4-6,12,14-16,18H,7-11H2,1-3H3,(H,33,37)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...

US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
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