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Patent code US10053434

Compile Data Set for Download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
HDAC4


(Homo sapiens (Human))
BDBM243173
PNG
((R)-N-(1-(5-Azaspiro[2.5]octan-5- yl)propan-2-yl)-...)
Show SMILES C[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243152
PNG
(D1: N-((R)-1-((abs)-3- (Difluoromethoxy)piperidin-...)
Show SMILES C[C@H](CN1CCCC(C1)OC(F)F)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F5N4O3/c1-11(9-28-8-2-3-14(10-28)30-18(20)21)25-16(29)13-6-4-12(5-7-13)15-26-17(31-27-15)19(22,23)24/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,25,29)/t11-,14?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243192
PNG
(N-((2R)-1-(3-Azabicyclo[3.2.0]heptan- 3-yl)propan-...)
Show SMILES C[C@H](CN1CC2CCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-11(8-26-9-14-6-7-15(14)10-26)23-17(27)13-4-2-12(3-5-13)16-24-18(28-25-16)19(20,21)22/h2-5,11,14-15H,6-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243193
PNG
(D1: N-((R)-1-((abs-1,5-cis)-6- Azabicyclo[3.2.0]he...)
Show SMILES C[C@H](CN1CC2CCCC12)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-11(9-26-10-14-3-2-4-15(14)26)23-17(27)13-7-5-12(6-8-13)16-24-18(28-25-16)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243189
PNG
((R)-N-(1-(3,4-dihydro-2,7-naphthyridin- 2(1H)-yl)p...)
Show SMILES C[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243183
PNG
(N-((R)-1-(3-Azabicyclo[3.2.1]octan-3- yl)propan-2-...)
Show SMILES C[C@H](CN1CC2CCC(C2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O2/c1-12(9-27-10-13-2-3-14(8-13)11-27)24-18(28)16-6-4-15(5-7-16)17-25-19(29-26-17)20(21,22)23/h4-7,12-14H,2-3,8-11H2,1H3,(H,24,28)/t12-,13?,14?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243180
PNG
((R)-N-(1-(5-Azaspiro[2.4]heptan-5- yl)propan-2-yl)...)
Show SMILES C[C@H](CN1CCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-12(10-26-9-8-18(11-26)6-7-18)23-16(27)14-4-2-13(3-5-14)15-24-17(28-25-15)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,27)/t12-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243091
PNG
(N-((2R)-1-(3-Azabicyclo[3.1.0]hexan-3- yl)propan-2...)
Show SMILES C[C@H](CN1CC2CC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O2/c1-10(7-25-8-13-6-14(13)9-25)22-16(26)12-4-2-11(3-5-12)15-23-17(27-24-15)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3,(H,22,26)/t10-,13?,14?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243121
PNG
((R)-N-(1-(3,4-Dihydroisoquinolin- 2(1H)-yl)propan-...)
Show SMILES C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-14(12-29-11-10-15-4-2-3-5-18(15)13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,30)/t14-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243202
PNG
((2S)-1-((R)-2-(3-Fluoro-4-(5- (trifluoromethyl)-1,...)
Show SMILES C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H20F4N4O2/c1-10(9-26-7-3-4-11(26)2)23-16(27)12-5-6-13(14(19)8-12)15-24-17(28-25-15)18(20,21)22/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,23,27)/p+1/t10-,11+/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243178
PNG
((R)-N-(1-(Azepan-1-yl)propan-2-yl)-4- (5-(trifluor...)
Show SMILES C[C@H](CN1CCCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243187
PNG
(2-((R)-2-(4-(5-(Trifluoromethyl)-1,2,4- oxadiazol-...)
Show SMILES C[C@H](C[NH+]1CC2CCCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O2/c1-12(9-27-10-15-3-2-4-16(15)11-27)24-18(28)14-7-5-13(6-8-14)17-25-19(29-26-17)20(21,22)23/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,24,28)/p+1/t12-,15?,16?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243123
PNG
((R)-N-(1-(3-Phenylazetidin-1-yl)propan- 2-yl)-4-(5...)
Show SMILES C[C@H](CN1CC(C1)c1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-14(11-29-12-18(13-29)15-5-3-2-4-6-15)26-20(30)17-9-7-16(8-10-17)19-27-21(31-28-19)22(23,24)25/h2-10,14,18H,11-13H2,1H3,(H,26,30)/t14-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243179
PNG
((R)-N-(1-(1-Azaspiro[3.3]heptan-1- yl)propan-2-yl)...)
Show SMILES C[C@H](CN1CCC11CCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-12(11-26-10-9-18(26)7-2-8-18)23-16(27)14-5-3-13(4-6-14)15-24-17(28-25-15)19(20,21)22/h3-6,12H,2,7-11H2,1H3,(H,23,27)/t12-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243201
PNG
(N-((2R)-1-(6,6-Dimethyl-3- azabicyclo[3.1.0]hexan-...)
Show SMILES C[C@H](CN1CC2C(C1)C2(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O2/c1-11(8-27-9-14-15(10-27)19(14,2)3)24-17(28)13-6-4-12(5-7-13)16-25-18(29-26-16)20(21,22)23/h4-7,11,14-15H,8-10H2,1-3H3,(H,24,28)/t11-,14?,15?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243152
PNG
(D1: N-((R)-1-((abs)-3- (Difluoromethoxy)piperidin-...)
Show SMILES C[C@H](CN1CCCC(C1)OC(F)F)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F5N4O3/c1-11(9-28-8-2-3-14(10-28)30-18(20)21)25-16(29)13-6-4-12(5-7-13)15-26-17(31-27-15)19(22,23)24/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,25,29)/t11-,14?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243193
PNG
(D1: N-((R)-1-((abs-1,5-cis)-6- Azabicyclo[3.2.0]he...)
Show SMILES C[C@H](CN1CC2CCCC12)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-11(9-26-10-14-3-2-4-15(14)26)23-17(27)13-7-5-12(6-8-13)16-24-18(28-25-16)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243176
PNG
((R)-N-(1-(6-Azaspiro[2.5]octan-6- yl)propan-2-yl)-...)
Show SMILES C[C@H](CN1CCC2(CC2)CC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O2/c1-13(12-27-10-8-19(6-7-19)9-11-27)24-17(28)15-4-2-14(3-5-15)16-25-18(29-26-16)20(21,22)23/h2-5,13H,6-12H2,1H3,(H,24,28)/t13-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM242586
PNG
((R)-N-(1-(Isoindolin-2-yl)propan-2-yl)- 4-(5-(trif...)
Show SMILES C[C@H](CN1Cc2ccccc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N4O2/c1-13(10-28-11-16-4-2-3-5-17(16)12-28)25-19(29)15-8-6-14(7-9-15)18-26-20(30-27-18)21(22,23)24/h2-9,13H,10-12H2,1H3,(H,25,29)/t13-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243093
PNG
((S)-N-(1-Cyclopropyl-2-(pyrrolidin-1- yl)ethyl)-4-...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N[C@H](CN1CCCC1)C1CC1
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)13-5-7-14(8-6-13)17(27)23-15(12-3-4-12)11-26-9-1-2-10-26/h5-8,12,15H,1-4,9-11H2,(H,23,27)/t15-/m1/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243111
PNG
((R)-N-(1-Cyclopropyl-2-(pyrrolidin-1- yl)ethyl)-4-...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N[C@@H](CN1CCCC1)C1CC1
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)13-5-7-14(8-6-13)17(27)23-15(12-3-4-12)11-26-9-1-2-10-26/h5-8,12,15H,1-4,9-11H2,(H,23,27)/t15-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM242582
PNG
((2S)-2-Methyl-1-((R)-2-(3-methyl-4-(5- (trifluorom...)
Show SMILES C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C19H23F3N4O2/c1-11-9-14(17(27)23-12(2)10-26-8-4-5-13(26)3)6-7-15(11)16-24-18(28-25-16)19(20,21)22/h6-7,9,12-13H,4-5,8,10H2,1-3H3,(H,23,27)/p+1/t12-,13+/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 100n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM243203
PNG
(N-((R)-1-((S)-2-Methylpyrrolidin-1- yl)propan-2-yl...)
Show SMILES C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cn1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C17H20F3N5O2/c1-10(9-25-7-3-4-11(25)2)22-15(26)13-6-5-12(8-21-13)14-23-16(27-24-14)17(18,19)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,26)/t10-,11+/m1/s1
PDB

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n/an/a 134n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
HDAC4


(Homo sapiens (Human))
BDBM242584
PNG
(N-(2-(3-Azabicyclo[3.2.1]octan-3- yl)ethyl)-4-(5-(...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCCN1CC2CCC(C2)C1
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)14-3-5-15(6-4-14)17(27)23-7-8-26-10-12-1-2-13(9-12)11-26/h3-6,12-13H,1-2,7-11H2,(H,23,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 140n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...


US Patent US10053434 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%