Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60693 | Target Info | |||
| Target Name | Opioid receptor kappa (OPRK1) | ||||
| Synonyms |
OPRK; Kappa-type opioid receptor; Kappa opioid receptor; KOR-1; KOR; K-OR-1
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|
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| Target Type | Successful Target | ||||
| Gene Name | OPRK1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 39 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Chembl4213827
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50456634
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|
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Chembl4213388
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50456635
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|
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(4R,4Ar,6R,7S,7aR,12bS)-6,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2418740; BDBM50493042
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|
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| Activity |
EC50 = 50000 nM
|
[2] | |||
| Compound Name |
Chembl4218758
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50456641
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|
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Chembl4218745
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50456639
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|
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
US9233167, a-6-mPEG1-O-Codeine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3895828; BDBM208980
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|
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| Activity |
Ki = 54669.89 nM
|
[3] | |||
| Compound Name |
(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3933053; BDBM209002
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|
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| Activity |
Ki = 59138.22 nM
|
[3] | |||
| Compound Name |
4-(1-Benzhydryl-4-hydroxypiperidin-4-yl)benzonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233501; BDBM50210204
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|
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| Activity |
Ki = 61045 nM
|
[4] | |||
| Compound Name |
(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3911284; BDBM209005
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|
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| Activity |
Ki = 72246.23 nM
|
[3] | |||
| Compound Name |
(1S,9S,16R)-16,17-Dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3707100
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|
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| Activity |
IC50 ~ 75000 nM
|
[5] | |||
| Compound Name |
8-[Bis(2-chlorophenyl)methyl]-3-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
spiropiperidine analogue, 20; CHEMBL475496; BDBM26899
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|
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| Activity |
Ki = 81010 nM
|
[6] | |||
| Compound Name |
(7S,12Bs)-9-methoxy-7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3967811; BDBM209001
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|
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| Activity |
Ki = 96978.61 nM
|
[3] | |||
| Compound Name |
Chembl4169128
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50281760; ZINC66939732
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|
||||
| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
Chembl4169199
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50340644
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|
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| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
Tyr-Gly-Pro-Phe-Leu-Nle-Arg-NH2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369371; CHEMBL304684; BDBM50128082
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|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(7-bromo-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319088; BDBM50497847
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
GSK137647A; GSK 137647; GSK-137647A; N-mesityl-4-methoxybenzenesulfonamide; CHEMBL3311308; MFCD02007969; 4-methoxy-N-(2,4,6-trimethylphenyl)-benzenesulfonamide; CBMicro_012617; Oprea1_349531; Oprea1_545891; SCHEMBL19357604; KS-00000TIW; AOB2991; ZINC184126; BCP17136; EX-A1097; GSK 137647A; SMSF0014079; BDBM50044849; STK899558; AKOS003261220; CB15818; CS-5549; GSK-137647; MCULE-5583867808; N-mesityl-4-methoxy-1-benzenesulfonamide; NCGC00387253-02; NCGC00387253-05; AK240703; AS-16737; HY-19995; BIM-0012523.P001; FFA4 (GPR120) agonist GSK137647A; B7793; EU-0076636; FT-0700296; S0001; ST50719559; GSK137647A, >=98% (HPLC); A14542; AJ-292/14925630; SR-01000478738; J-690285; SR-01000478738-1; [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine; 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide; 4-Methoxy-N-(2,4,6-triMethylphenyl)benzenesulfonaMide, 97%
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(5-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319081; BDBM50497855
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
Chembl4172930
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50281393; ZINC45076626; AKOS034196729; MCULE-8101168340; Z333694726; 3-chloro-4-hydroxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
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|
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| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
Chembl4164624
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50281821; ZINC67847468; MCULE-8186552412
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|
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| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178732; BDBM50398701
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|
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| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(7-bromo-2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319091; BDBM50497846
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|
||||
| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178725
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178733; BDBM50398700
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2R)-2-Acetamido-6-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178728
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2R)-2-Acetamido-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178730
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2R)-2-Acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178729
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(5-bromo-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319087; BDBM50497851
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|
||||
| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319080; BDBM50497854
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|
||||
| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178726
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
Chembl4164452
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50340645
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|
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| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
(2R)-2-Acetamido-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178727
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|
||||
| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
(2R,5S,8R)-5-Benzyl-2-(1H-indol-3-ylmethyl)-3,6,10,14-tetraoxo-1,4,7,11-tetrazacyclotetradecane-8-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178731; BDBM50398702
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|
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| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
Chembl4172330
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50340647
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|
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| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
(2S)-2-[[(2R)-2-Acetamido-3-(5-nitro-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319089; BDBM50497852
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(3S,6R,12S)-3-Benzyl-12-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319079; BDBM50497848
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|
||||
| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3984515; BDBM209004
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|
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| Activity |
Ki = 108317.5 nM
|
[3] | |||
| Compound Name |
(4R,4Ar,6R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6,7-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2418741; BDBM50493044
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|
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| Activity |
EC50 = 126000 nM
|
[2] | |||
| Compound Name |
(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3956767; BDBM209003
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|
||||
| Activity |
Ki ~ 160000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 12 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
SB-0304
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|
Investigative | Compound Info | ||
| Synonyms |
SB-0304; CHEMBL409225
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| Activity |
Ki > 1000000 nM
|
[13] | |||
| Compound Name |
H-Tyr-NMe-D-Ala-Phe-Sar-NH2
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL260120
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|
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| Activity |
Ki > 1000000 nM
|
[13] | |||
| Compound Name |
Ethyl 2-[(1R,9R,10S,12R)-10-hydroxy-4-methoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3918073; SCHEMBL15842377; BDBM236834; US9388162, 59
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|
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| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-oxo-2-piperidin-1-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3926042; SCHEMBL15843060; BDBM236868; US9388162, 76
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|
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| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(2S)-1-[2-[(1R,9R,10S,12R)-17-(Cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetyl]pyrrolidine-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4110715; SCHEMBL15843342; BDBM236825; US9388162, 17
Click to Show/Hide
|
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| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(1R,9R,10S,12R)-10-Hydroxy-12-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3917710; SCHEMBL15842907; BDBM236870; US9388162, 78
Click to Show/Hide
|
||||
| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-oxo-2-pyrrolidin-1-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3940025; SCHEMBL15843395; BDBM236869; US9388162, 77
Click to Show/Hide
|
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| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-morpholin-4-yl-2-oxoethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3892711; SCHEMBL15842709; BDBM236871; US9388162, 79
Click to Show/Hide
|
||||
| Activity |
EC50 > 200000 nM
|
[14] | |||
| Compound Name |
(4As,5R,10bR)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1224527; BDBM50325822; trans-(5R)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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| Activity |
Ki = 820000 nM
|
[15] | |||
| Compound Name |
(2S)-2-Amino-N-[(2R)-1-[[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2151735; BDBM50393257
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|
||||
| Activity |
Ki > 1000000 nM
|
[13] | |||
| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-methylamino]propanoyl]amino]-N-(2-amino-2-oxoethyl)-N-methyl-3-phenylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2151734; BDBM50393258
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|
||||
| Activity |
Ki > 1000000 nM
|
[13] | |||
| Compound Name |
(2S)-2-Amino-N-[(2R)-1-[[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1834247; BDBM50354650
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|
||||
| Activity |
Ki > 1000000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Semisynthesis and Kappa-Opioid Receptor Activity of Derivatives of Columbin, a Furanolactone Diterpene. J Nat Prod. 2017 Jul 28;80(7):2094-2100. | ||||
| REF 2 | Access to 7-analogs of codeine with mixed / agonist activity via 6,7-alpha-epoxide opening. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4870-4. | ||||
| REF 3 | US patent application no. 9233167B2, Oligomer-opioid agonist conjugates | ||||
| REF 4 | Bioorg Med Chem Lett. 2007 Jun 1;17(11):3028-33. Epub 2007 Mar 21.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2. | ||||
| REF 5 | The power of visual imagery in drug design. Isopavines as a new class of morphinomimetics and their human opioid receptor binding activity. J Med Chem. 2003 Jan 2;46(1):34-48. | ||||
| REF 6 | Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: part 2. Bioorg Med Chem Lett. 2009 Feb 15;19(4):1164-7. | ||||
| REF 7 | Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets. J Med Chem. 2018 Aug 9;61(15):6830-6845. | ||||
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