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Compile Data Set for Download or QSAR

Found 19792 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma'   
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))		BDBM504229
PNG
(N-[2-[(2R)-2-Fluoro-3-hydroxy- 3-methyl-butyl]-6-i...)
Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
 0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504219
PNG
((R)-N-(6-(2,2-Difluoroethoxy)- 2-(2-fluoro-3-hydro...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2C1=O |r|
PDB

UniProtKB/SwissProt

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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504215
PNG
(N-[6-(3-Fluorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](F)C3)cc2C1=O |r,wU:26.27,28.30,wD:4.4,(-7.2,.34,;-7.24,1.88,;-8.73,1.48,;-8.01,3.22,;-5.7,1.88,;-4.93,3.22,;-4.93,.55,;-3.39,.55,;-2.49,1.79,;-1.02,1.32,;.31,2.09,;1.64,1.32,;2.98,2.09,;2.98,3.63,;1.64,4.4,;4.31,4.4,;4.47,5.93,;5.98,6.25,;6.75,4.92,;8.25,4.6,;8.73,3.13,;7.7,1.99,;6.19,2.31,;5.72,3.77,;1.64,-.22,;2.98,-.99,;2.98,-2.53,;1.89,-3.62,;2.98,-4.71,;2.98,-6.25,;4.07,-3.62,;.31,-.99,;-1.02,-.22,;-2.49,-.7,;-2.96,-2.16,)|
PDB

UniProtKB/SwissProt

antibodypedia
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 0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504233
PNG
((R)-N-(6-Ethoxy-2-(2-fluoro-3- hydroxy-3-methylbut...)
Show SMILES CCOc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504232
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-iso...)
Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cc(C)cnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.420n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504234
PNG
(US11034698, Example 83 | US11034698, Example 84)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 0.490n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504239
PNG
((R)-N-(6-(Difluoromethoxy)-2- (2-fluoro-3-hydroxy-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504218
PNG
(N-[6-(3-Chlorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](Cl)C3)cc2C1=O |r,wU:26.27,28.30,wD:4.4,(-7.2,.34,;-7.24,1.88,;-8.73,1.48,;-8.01,3.22,;-5.7,1.88,;-4.93,3.22,;-4.93,.55,;-3.39,.55,;-2.49,1.79,;-1.02,1.32,;.31,2.09,;1.64,1.32,;2.98,2.09,;2.98,3.63,;1.64,4.4,;4.31,4.4,;4.47,5.93,;5.98,6.25,;6.75,4.92,;8.25,4.6,;8.73,3.13,;7.7,1.99,;6.19,2.31,;5.72,3.77,;1.64,-.22,;2.98,-.99,;2.98,-2.53,;1.89,-3.62,;2.98,-4.71,;2.98,-6.25,;4.07,-3.62,;.31,-.99,;-1.02,-.22,;-2.49,-.7,;-2.96,-2.16,)|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.510n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504238
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3COC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
 0.590n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504241
PNG
((R)-N-(6-(tert-Butoxy)-2-(2- fluoro-3-hydroxy-3- m...)
Show SMILES CC(C)(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.610n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504228
PNG
((R)-N-(6-Cyclopropoxy-2-(2- fluoro-3-hydroxy-3- me...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
 0.630n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504267
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
 0.630n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504220
PNG
(US11034698, Example 66 | US11034698, Example 67)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 0.670n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504224
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCNCC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504234
PNG
(US11034698, Example 83 | US11034698, Example 84)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.710n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504202
PNG
((R)-N-(6-Methoxy-2,2-dimethyl- 2,3-dihydrobenzofur...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.870n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504231
PNG
((R)-N-(6-(Cyclopentyloxy)-2-(2- fluoro-3-hydroxy-3...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCCC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 0.970n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504230
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3COC3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
 0.970n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504225
PNG
(US11034698, Example 71 | US11034698, Example 72)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504220
PNG
(US11034698, Example 66 | US11034698, Example 67)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504214
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...)
Show SMILES Cn1cc(COc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504258
PNG
(N-(2-((R)-2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((7...)
Show SMILES CO[C@H]1C[C@@H]2CN(CCN2C1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504237
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-met...)
Show SMILES COc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504240
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...)
Show SMILES Cn1cc(Oc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r|
PDB

UniProtKB/SwissProt

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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504247
PNG
((R)-N-(6-(4-(2,2- Difluoroethyl)piperidin-1-yl)-2-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC(F)F)CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504250
PNG
(N-(2-((R)-2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((R...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN2CCC[C@@H]2C1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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 1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504222
PNG
(US11034698, Example 68 | US11034698, Example 69)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1NC(=O)c1cnn2cccnc12)[C@H]1CCOC1 |r|
PDB

UniProtKB/SwissProt

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 1.80n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504236
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCOCC3)cc2C1=O |r|
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 1.80n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504246
PNG
(N-[6-(Dimethylamino)-2- isopropyl-1-oxo-isoindolin...)
Show SMILES CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N(C)C
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 1.90n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504256
PNG
((R)-N-(6-(4-(2-(1H-Imidazol-1- yl)ethyl)piperazin-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CCn2ccnc2)CC1 |r|
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US Patent
 2.10n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504173
PNG
(N-(6-(4-((4-Chloro-1H- imidazol-5-yl)methyl)pipera...)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2[nH]cnc2Cl)CC1
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US Patent
 2.30n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504222
PNG
(US11034698, Example 68 | US11034698, Example 69)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1NC(=O)c1cnn2cccnc12)[C@H]1CCOC1 |r|
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US Patent
 2.5n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504259
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(F)(F)CN1CCN(CC1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
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 2.60n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504262
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(4-...)
Show SMILES COCCN1CCN(CC1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r|
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 2.60n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504205
PNG
(5-((2-Aminoethyl)amino)-N-(6- methoxy-2,2-dimethyl...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(NCCN)nc12
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US Patent
 3.20n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504225
PNG
(US11034698, Example 71 | US11034698, Example 72)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O |r|
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 3.20n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498079
PNG
((5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(s4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C27H31F3N4O4S3/c1-4-41(36,37)20-6-5-19(31-14-20)13-32-24(35)21-12-18-11-16(2)38-26(23(18)39-21)7-9-34(10-8-26)17(3)22-15-33-25(40-22)27(28,29)30/h5-6,12,14-17H,4,7-11,13H2,1-3H3,(H,32,35)/t16-,17?/m0/s1
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US Patent
 3.27n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50511348
PNG
(CHEMBL4566431 | US11034698, Example 105)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1 |r|
Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1
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 3.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50403297
PNG
(CHEMBL5288854)
Show SMILES OC(=O)CN1C[C@@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-20(26)13-24-12-19(16-9-5-2-6-10-16)30-14-17(22(24)28)23-21(27)18(29)11-15-7-3-1-4-8-15/h1-10,17-19,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18-,19+/m0/s1
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 3.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)

Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504166
PNG
(N-(6-(4-(2-Acetamidoethyl)piperazin-1-yl)-2,2-dime...)
Show SMILES CC(=O)NCCN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
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 3.70n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50511357
PNG
(CHEMBL4452765 | US11034698, Example 92)
Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)
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 3.70n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504227
PNG
(N-[6-(Azetidin-3-yloxy)-2- [(2R)-2-fluoro-3-hydrox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CNC3)cc2C1=O |r|
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 3.70n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504171
PNG
(N-[2,2-dimethyl-6-[4-[(4- methyl-1H-imidazol-5- yl...)
Show SMILES Cc1nc[nH]c1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
PDB

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 3.80n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504172
PNG
(N-[6-[4-[(4-ethyl-1H-imidazol- 5-yl)methyl]piperaz...)
Show SMILES CCc1nc[nH]c1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
PDB

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 3.90n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504201
PNG
((R)-5-(3-Aminopiperidin-1-yl)- N-(6-methoxy-2,2-di...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H](N)C1 |r|
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 4.10n/an/an/an/an/an/an/an/a


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Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586388
PNG
(CHEMBL5081557)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1
PDB

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PubMed
 4.20n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498077
PNG
(N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1-[6- (...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)cc1
Show InChI InChI=1S/C30H34F3N3O4S2/c1-4-42(38,39)24-8-5-21(6-9-24)17-35-28(37)25-16-23-15-19(2)40-29(27(23)41-25)11-13-36(14-12-29)20(3)22-7-10-26(34-18-22)30(31,32)33/h5-10,16,18-20H,4,11-15,17H2,1-3H3,(H,35,37)
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US Patent
 4.42n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504174
PNG
(N-(2,2-Dimethyl-6-(4-((4- methylthiazol-5- yl)meth...)
Show SMILES Cc1ncsc1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
PDB

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 4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504203
PNG
(5-amino-N-(6-Methoxy-2,2- dimethyl-2,3- dihydroben...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N)nc12
PDB

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 4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM504245
PNG
(N-[6-Morpholino-2-(2- oxaspiro[3,3]heptan-6-yl)-1-...)
Show SMILES O=C(Nc1cc2CN(C3CC4(COC4)C3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
PDB

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 4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34FX
More data for this
Ligand-Target Pair
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