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Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'morningstar' and Initial = 'ml'   
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
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]


(Human immunodeficiency virus type 1)
BDBM17667
PNG
(2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...)
Show SMILES COc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
Show InChI InChI=1S/C21H14F4N2O/c1-28-18-10-4-9-17-20(18)26-21(19-15(24)7-3-8-16(19)25)27(17)11-12-13(22)5-2-6-14(12)23/h2-10H,11H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
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UniChem

Patents

Article
PubMed
n/an/a 7.30n/an/an/an/a8.037



NCI-FCRDC



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 50: 4003-4015 (2007)


Article DOI: 10.1021/jm060103d
BindingDB Entry DOI: 10.7270/Q25M6409
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625861
PNG
(Synthesis of 1-((S)-2-cyano-2-((3R,5R,8R,9R,10S,13...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2[C@@H](Cn1cc(cn1)C#N)C#N |r|
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TBA



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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625862
PNG
(US20230322846, Example 356)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2[C@H](Cn1cc(cn1)C#N)C#N |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625870
PNG
(US20230322846, Example 365)
Show SMILES CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]([C@@H](C)Cn5nnc(C)n5)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625871
PNG
(Synthesis of 5-((S)-2-((3R,5R,8R,9R,10S,13R,14S,17...)
Show SMILES CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)Cc5ccc(nc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625872
PNG
(US20230322846, Example 401)
Show SMILES CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccc(nc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625873
PNG
(Synthesis of 3-((S)-2-((3R,5R,8R,9R,10S,13R,14S,17...)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5cccc(c5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625875
PNG
(Synthesis of 5-((S)-2-((3R,5R,8R,9R,10S,13R,14S,17...)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccc(nc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625876
PNG
(US20230322846, Example 405)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)Cc5ccc(nc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625877
PNG
(Synthesis of 5-((R)-2-((3R,5R,8R,9R,10S,13R,14S,17...)
Show SMILES C[C@H](Cc1cncc(c1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625878
PNG
(US20230322846, Example 407)
Show SMILES C[C@@H](Cc1cncc(c1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625880
PNG
(US20230322846, Example 411)
Show SMILES CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)Cc5ccc(nc5)C(F)(F)F)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625882
PNG
(US20230322846, Example 413)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5cccc(n5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625883
PNG
(US20230322846, Example 414)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccc(C)nc5C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625884
PNG
(US20230322846, Example 415)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)Cc5ccc(C)nc5C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625886
PNG
(US20230322846, Example 417)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccccc5C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625888
PNG
(US20230322846, Example 420)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccc(nc5)C(F)(F)F)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625890
PNG
(US20230322846, Example 422)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5cnc(C)cn5)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625892
PNG
(US20230322846, Example 424)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5nc(C)ccc5Cl)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625895
PNG
(US20230322846, Example 427)
Show SMILES C[C@@H](Cc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625896
PNG
(US20230322846, Example 428)
Show SMILES C[C@@H](Cc1ncc(CO)s1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625897
PNG
(US20230322846, Example 429)
Show SMILES C[C@H](Cc1ncc(CO)s1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625900
PNG
(US20230322846, Example 432)
Show SMILES COc1cncc(C[C@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625901
PNG
(US20230322846, Example 433)
Show SMILES COc1cncc(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625903
PNG
(US20230322846, Example 435)
Show SMILES C[C@@H](Cc1nccc(n1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625905
PNG
(US20230322846, Example 437)
Show SMILES C[C@@H](Cc1ncc(C)cn1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625907
PNG
(US20230322846, Example 439)
Show SMILES C[C@@H](Cc1cnc(C)cn1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625908
PNG
(US20230322846, Example 440)
Show SMILES C[C@H](Cc1cnc(C)cn1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625909
PNG
(US20230322846, Example 441)
Show SMILES C[C@@H](Cc1cncc(C)n1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625911
PNG
(US20230322846, Example 443)
Show SMILES C[C@@H](Cc1ccc(nc1)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625913
PNG
(US20230322846, Example 445)
Show SMILES C[C@@H](Cc1cncc(c1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625914
PNG
(US20230322846, Example 446)
Show SMILES C[C@H](Cc1cncc(c1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625915
PNG
(US20230322846, Example 449)
Show SMILES C[C@@H](Cc1nc(cs1)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625918
PNG
(US20230322846, Example 453)
Show SMILES C[C@@H](Cc1nc(cs1)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625920
PNG
(US20230322846, Example 455)
Show SMILES CCOC(=O)c1cnc(C[C@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)o1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625934
PNG
(US20230322846, Example 499)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](CC)Cn5ccc(n5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625738
PNG
(US20230322846, Example 156)
Show SMILES C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)n1cc(cn1)C#N |r|
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625748
PNG
(US20230322846, Example 202)
Show SMILES C[C@@H](Nc1cccc(c1)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625749
PNG
(US20230322846, Example 203)
Show SMILES C[C@@H](Nc1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625761
PNG
(US20230322846, Example 250)
Show SMILES C[C@@H](Nc1ccc(cc1C)C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625763
PNG
(US20230322846, Example 252)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5ccc(cc5C)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625765
PNG
(US20230322846, Example 254)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5cccc(c5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625767
PNG
(US20230322846, Example 256)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5ccc(cc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625770
PNG
(US20230322846, Example 259)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5cccc(N6CCCC6=O)c5C)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625771
PNG
(US20230322846, Example 260)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5ccc(cc5C)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625773
PNG
(US20230322846, Example 262)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5cccnc5F)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625774
PNG
(US20230322846, Example 263)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Nc5cccc(n5)N5CCCC5=O)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625778
PNG
(US20230322846, Example 267)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)Cn5ccnn5)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625779
PNG
(US20230322846, Example 268)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cn5ccnn5)[C@@]4(C)CC[C@H]23)C1 |r|
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-1


(Rat)
BDBM625780
PNG
(Synthesis of 1-((R)-2-((3R,5R,8R,9R,10S,13S,14S,17...)
Show SMILES CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cn5cc(cn5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|
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Ligand-Target Pair
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