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Compile Data Set for Download or QSAR

Found 925 hits Enz. Inhib. hit(s) with all data for entry = 1042   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304444
PNG
((R)-(4-(3-isopropyl-4-(5-(prop-1-en-2-yl)-4-(trifl...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(C(C)=C)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
PDB

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



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304452
PNG
((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...)
Show SMILES CSCc1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r|
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1n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304526
PNG
((R)-5-cyclopropyl-2-(4-(4-fluoro-3-(methylsulfonyl...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Br)c(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
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1n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177012
PNG
(CHEMBL3814153 | US10144715, Compound 7-32)
Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C19H22F4N4O2S/c1-12(2)15-11-26(13-4-5-14(20)16(10-13)30(3,28)29)8-9-27(15)18-24-7-6-17(25-18)19(21,22)23/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/s2
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304505
PNG
((R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(C)(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r|
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1n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304681
PNG
((4-((S)-3-isopropyl-4-(((1r,4S)-4-methoxy-4-(trifl...)
Show SMILES CO[C@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.1,wD:5.5,12.13,2.32,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)|
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2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304419
PNG
((R)-(2-fluoro-4-(4-(5-(hydroxymethyl)-4-(trifluoro...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1cc(F)c(CO)c(c1)S(C)(=O)=O |r|
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2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304523
PNG
((R)-2-isopropyl-1-(6-methyl-5-(trifluoromethyl)pyr...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(c(C)n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
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2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304525
PNG
((R)-2-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(C)(C)O)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304616
PNG
((S)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)-1-(((...)
Show SMILES CC(C)[C@H]1CN(CCN1C(=O)C1CC[C@@](C)(O)CC1)c1cccc(c1)S(C)(=O)=O |r,wU:14.16,wD:3.2,14.15,(-5.5,4.22,;-3.96,4.22,;-3.19,2.89,;-3.19,5.56,;-1.65,5.56,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-8.58,12.22,;-7.04,12.22,;-6.27,10.89,;-5.5,9.56,;.66,6.89,;1.43,5.56,;2.97,5.56,;3.74,6.89,;2.97,8.22,;1.43,8.22,;3.74,9.56,;2.97,10.89,;5.07,10.33,;5.07,8.79,)|
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2n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304524
PNG
(1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C#N)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304512
PNG
((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(C)cs2)c(c1)S(C)(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304431
PNG
(1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(C(C)O)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304682
PNG
((4-((S)-3-isopropyl-4-(((1s,4R)-4-methoxy-4-(trifl...)
Show SMILES CO[C@@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.32,wD:5.5,12.13,2.1,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304441
PNG
((R)-5-(4-(5-acetyl-4-(trifluoromethyl)pyrimidin-2-...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)c1ccc(F)cc1)c1ncc(C(C)=O)c(n1)C(F)(F)F |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177015
PNG
(CHEMBL3814206 | US10144715, Compound 19-1)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/s2
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3n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304522
PNG
((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(C)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304505
PNG
((R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(n1)C(C)(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r|
PDB
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304514
PNG
((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)c(n1)C(F)(F)F)C(=O)OCc1ccccc1 |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304521
PNG
((R)-4-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(Cl)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304360
PNG
((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopro...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177011
PNG
(CHEMBL3815014 | US10144715, Compound 7-13)
Show SMILES CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C19H23F3N4O2S/c1-13(2)16-12-25(14-5-4-6-15(11-14)29(3,27)28)9-10-26(16)18-23-8-7-17(24-18)19(20,21)22/h4-8,11,13,16H,9-10,12H2,1-3H3/t16-/s2
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304368
PNG
((R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-iso...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1cnc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304521
PNG
((R)-4-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(Cl)n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304509
PNG
((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)C#N)c1ccc(CCO)c(c1)S(C)(=O)=O |r|
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4n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304506
PNG
((R)-5-bromo-2-(4-(4-fluoro-3-(methylsulfonyl)pheny...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Br)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304438
PNG
(2-fluoro-5-((3R)-4-(5-(1-hydroxyethyl)-4-(trifluor...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(C(C)O)c(n1)C(F)(F)F |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304636
PNG
((S)-4-(3-(methylsulfonyl)phenyl)-2-phenyl-1-(((1s,...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)(F)F |r,wU:27.33,wD:14.17,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-5.5,9.56,;-6.27,10.89,;-7.81,10.89,;-8.58,9.56,;-7.81,8.22,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,;-7.04,12.22,)|
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5n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304510
PNG
((R)-2-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1nc(c(s1)C(C)(C)O)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304402
PNG
((R)-2-fluoro-5-(4-(5-(2-hydroxypropan-2-yl)-4-(tri...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(C)(C)O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304681
PNG
((4-((S)-3-isopropyl-4-(((1r,4S)-4-methoxy-4-(trifl...)
Show SMILES CO[C@]1(CC[C@H](CN2CCN(C[C@@H]2C(C)C)c2ccc(CO)c(c2)S(C)(=O)=O)CC1)C(F)(F)F |r,wU:2.1,wD:5.5,12.13,2.32,(-4.86,4.25,;-5.95,3.16,;-5.55,1.67,;-4.06,2.07,;-2.98,.98,;-3.37,-.51,;-2.28,-1.59,;-.8,-1.2,;-.4,.29,;1.09,.69,;2.18,-.4,;1.78,-1.89,;.29,-2.28,;-.11,-3.77,;-1.59,-4.17,;.98,-4.86,;3.67,,;4.75,-1.09,;6.24,-.69,;6.64,.8,;8.13,1.2,;8.53,2.68,;5.55,1.89,;4.06,1.49,;5.95,3.37,;7.44,2.98,;6.35,4.86,;4.46,3.77,;-4.86,-.9,;-5.95,.18,;-7.04,2.07,;-8.53,2.47,;-6.64,3.56,;-7.44,.58,)|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304622
PNG
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F |r,wD:14.17,27.33,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-6.27,10.89,;-5.5,9.56,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,)|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304697
PNG
(4-((S)-3-isopropyl-4-(((1s,4R)-4-(trifluoromethyl)...)
Show SMILES CC(C)[C@H]1CN(CCN1C[C@H]1CC[C@H](CC1)C(F)(F)F)c1ccc(C#N)c(c1)S(C)(=O)=O |r,wU:10.10,13.17,wD:3.2,(5.51,-26.58,;4.17,-25.81,;2.84,-26.58,;4.17,-24.27,;5.51,-23.5,;5.51,-21.96,;4.17,-21.19,;2.84,-21.96,;2.84,-23.5,;1.51,-24.27,;.17,-23.5,;-1.16,-24.27,;-2.5,-23.5,;-2.5,-21.96,;-1.16,-21.19,;.17,-21.96,;-3.83,-21.19,;-5.16,-21.96,;-3.83,-19.65,;-3.83,-22.73,;6.84,-21.19,;8.17,-21.96,;9.51,-21.19,;9.54,-19.62,;10.88,-18.87,;12.23,-18.11,;8.18,-18.84,;6.84,-19.65,;8.17,-17.3,;9.71,-17.28,;8.15,-15.76,;6.63,-17.32,)|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304433
PNG
((R)-1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc([C@H](C)O)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304416
PNG
((R)-(2-(4-(4-chloro-3-(methylsulfonyl)phenyl)-2-is...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(Cl)c(c1)S(C)(=O)=O |r|
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6n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304403
PNG
(2-(2-(2-(tert-butyl)-4-(4-fluoro-3-(methylsulfonyl...)
Show SMILES CC(C)(C)C1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)O)c1ccc(F)c(c1)S(C)(=O)=O
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304644
PNG
((S)-2-(4-fluorophenyl)-4-(3-(methylsulfonyl)phenyl...)
Show SMILES NS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccc(F)cc1)C(=O)C1CCC[C@H](C1)C(F)(F)F |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304529
PNG
((R)-1-(6-cyclopropyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(c(n1)C1CC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304533
PNG
((R)-1-(2-(difluoromethoxy)pyridin-4-yl)-4-(4-fluor...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccnc(OC(F)F)c1)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304688
PNG
((4-((S)-3-isopropyl-4-(((3S,6R)-6-(trifluoromethyl...)
Show SMILES CC(C)[C@H]1CN(CCN1C[C@@H]1CC[C@@H](OC1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304425
PNG
((R)-2-(4-(4-(5-(hydroxymethyl)-4-(trifluoromethyl)...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(cs2)C#N)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304345
PNG
((R)-5-bromo-2-(4-(4-fluoro-3-(methylsulfonyl)pheny...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Br)c(C)n1)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177018
PNG
(CHEMBL3814478 | US10144715, Compound 14-1)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)O)c1ccc(F)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C22H28F4N4O3S/c1-13(2)17-12-29(14-6-7-16(23)18(10-14)34(5,32)33)8-9-30(17)20-27-11-15(21(3,4)31)19(28-20)22(24,25)26/h6-7,10-11,13,17,31H,8-9,12H2,1-5H3/t17-/s2
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304391
PNG
(US10144715, Compound 9-6 | methyl (R)-2-(4-(4-fluo...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(C(=O)OC)c(n1)C(F)(F)F |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304365
PNG
((R)-1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-4...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1nc(ccc1Cl)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304392
PNG
(US10144715, Compound 9-7 | ethyl (R)-2-(4-(4-fluor...)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)CC)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304631
PNG
((S)-(4-(4-((4,4-dimethylcyclohexyl)methyl)-3-pheny...)
Show SMILES CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1ccc(CCO)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304437
PNG
((R)-1-(2-((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl...)
Show SMILES CC[C@@H](O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(F)c(c1)S(C)(=O)=O |r|
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Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50177017
PNG
(CHEMBL3815001 | US10144715, Compound 11-1)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1/C20H24F4N4O3S/c1-12(2)16-10-27(14-4-5-15(21)17(8-14)32(3,30)31)6-7-28(16)19-25-9-13(11-29)18(26-19)20(22,23)24/h4-5,8-9,12,16,29H,6-7,10-11H2,1-3H3/t16-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
US Patent
9n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304338
PNG
((R)-5-chloro-2-(4-(4-fluoro-3-(methylsulfonyl)phen...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(Cl)c(C)n1)c1ccc(F)c(c1)S(C)(=O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
9n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent




US Patent US10144715 (2018)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
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