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Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with all data for entry = 1358   
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))
BDBM317956
PNG
(US9624217, Compound 109)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1 |r|
PDB

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UniProtKB/SwissProt

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317914
PNG
(US9624217, Compound 67)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317986
PNG
(US9624217, Compound 139)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317988
PNG
(US9624217, Compound 141)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317989
PNG
(US9624217, Compound 142)
Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(C)c1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317990
PNG
(US9624217, Compound 143)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nc1C |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317991
PNG
(US9624217, Compound 144)
Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317996
PNG
(US9624217, Compound 149)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](CO)c1ccc(cc1)C#N |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM318006
PNG
(US9624217, Compound 159)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317848
PNG
((S)—N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317849
PNG
( (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-i...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(10.83,-2.3,;9.5,-3.07,;8.16,-2.3,;8.93,-.96,;7.39,-3.63,;6.83,-1.53,;5.5,-2.3,;4.16,-1.53,;4.16,.01,;2.83,.78,;1.49,.01,;.16,.78,;.16,2.32,;-1.17,.01,;-1.17,-1.53,;-2.51,-2.3,;-3.84,-1.53,;-5.3,-2,;-5.7,-3.49,;-7.19,-3.89,;-4.61,-4.58,;-6.21,-.76,;-7.75,-.76,;-8.52,.58,;-7.75,1.91,;-8.52,3.24,;-10.06,3.24,;-10.83,1.91,;-10.06,.58,;-10.83,4.58,;-12.37,4.58,;-10.06,5.91,;-9.29,4.58,;-5.3,.49,;-3.84,.01,;-2.51,.78,;5.5,.78,;6.83,.01,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317850
PNG
(US9624217, Compound 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317851
PNG
(US9624217, Compound 4)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317852
PNG
(US9624217, Compound 5)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317853
PNG
(S-N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2nccc(n2)C(F)(F)F)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317854
PNG
(US9624217, Compound 7)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(F)cc4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317855
PNG
(US9624217, Compound 8)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2ncc(cn2)C(F)(F)F)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317856
PNG
((S)-6-(4-chlorobenzyl)-N-(4-(ethylsulfonyl)benzyl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)C(=O)c3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317857
PNG
(US9624217, Compound 10)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1Cc2cc(cnc2[C@@H]1C(C)C)C(=O)NCc1ccc(cc1)S(=O)(=O)CC |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317862
PNG
(US9624217, Compound 15 | tert-butyl (S)-3-((4-(eth...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317864
PNG
(US9624217, Compound 17)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317867
PNG
(US9624217, Compound 20)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;6.27,.12,;7.6,-.65,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317869
PNG
(US9624217, Compound 22)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317871
PNG
(US9624217, Compound 24)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317872
PNG
(US9624217, Compound 25)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OCc2ccc(Cl)cc2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317874
PNG
(US9624217, Compound 27)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cn4)C(F)(F)F)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317875
PNG
(US9624217, Compound 28)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@H](C)c3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317876
PNG
(US9624217, Compound 29)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317877
PNG
(US9624217, Compound 30)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)[C@H](C)c3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317878
PNG
(US9624217, Compound 31)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)[C@@H](C)c3c2)cc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317879
PNG
(US9624217, Compound 32)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)C(=O)c3c2)cc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317880
PNG
(US9624217, Compound 33)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317881
PNG
(US9624217, Compound 34)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317882
PNG
(US9624217, Compound 35)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)nc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317885
PNG
(US9624217, Compound 38)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317886
PNG
(US9624217, Compound 39)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(nc4)C(F)(F)F)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317888
PNG
(US9624217, Compound 41)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:23.22,26.29,wD:17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-9.29,-.09,;-10.06,1.24,;-9.29,2.58,;-7.75,2.58,;-6.98,1.24,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;6.27,.12,;7.6,-.65,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317889
PNG
(US9624217, Compound 42)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317890
PNG
(US9624217, Compound 43)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)nc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317891
PNG
(US9624217, Compound 44)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317892
PNG
(US9624217, Compound 45)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317894
PNG
(US9624217, Compound 47)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317896
PNG
(US9624217, Compound 49)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r|
PDB

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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317901
PNG
(US9624217, Compound 54)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317902
PNG
(US9624217, Compound 55)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;2.26,-2.19,;.93,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;6.27,.12,;7.6,-.65,)|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317903
PNG
(US9624217, Compound 56)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)cc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317904
PNG
(US9624217, Compound 57)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317905
PNG
(US9624217, Compound 58)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317906
PNG
(US9624217, Compound 59)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
PDB

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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
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