Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42446 | Target Info | |||
| Target Name | Gamma-aminobutyric acid B receptor (GABBR) | ||||
| Synonyms |
Gamma-aminobutyric acid type B receptor; GPRC3; GABABR; GABA-BR; GABA-B-R; GABA-B receptor
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| Target Type | Successful Target | ||||
| Gene Name | GABBR1; GABBR2 | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 14 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-3-cyclohexyl-1-propanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322942; SCHEMBL15461787; BDBM50427612
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| Activity |
EC50 = 53500 nM
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[1] | |||
| Compound Name |
1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)-1-propanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322939; SCHEMBL15461782; BDBM50427611
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| Activity |
EC50 = 61800 nM
|
[1] | |||
| Compound Name |
1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-4-octene-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322940; SCHEMBL15461785; BDBM50427610; (E)-1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-4-octene-1-one
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| Activity |
EC50 = 66900 nM
|
[1] | |||
| Compound Name |
3-Amino-2-(4-chlorophenyl)propane-1-sulfinic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL312675; SCHEMBL342399; BDBM50286226; 3-Amino-2-(4-chloro-phenyl)-propane-1-sulfinic acid
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| Activity |
IC50 = 90000 nM
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[2] | |||
| Compound Name |
(R)-4-Amino-3-phenylbutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
UNII-5P4YG4PU0Z; (3R)-4-amino-3-phenylbutanoic acid; 5P4YG4PU0Z; CHEMBL53073; (R)-4-amino-3-phenylbutyric acid; R-(-)-beta-Phenyl-gaba; (R)-Phenibut; L-beta-Phenyl-gamma-aminobutyric acid; 4-Amino-3-phenylbutyric acid, (R)-; PubChem18289; SCHEMBL351501; Benzenepropanoic acid, beta-(aminomethyl)-, (betaR)-; CTK1C0716; ZINC52604; (3R)-4-azaniumyl-3-phenylbutanoate; 4438AB; ANW-65811; BDBM50007119; AKOS006318425; (r)-(-)-4-amino-3-phenylbutyric acid; AC-22389; 568A366; Q27262676; UNII-T2M58D6LA8 component DAFOCGYVTAOKAJ-VIFPVBQESA-N
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| Activity |
Ki = 92000 nM
|
[3] | |||
| Compound Name |
1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-4,6-octadiene-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322941; SCHEMBL15461786; BDBM50427609; (4E,6E)-1-(2-Naphthyl)-2,2-difluoro-3-hydroxy-4,6-octadiene-1-one
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| Activity |
EC50 = 99300 nM
|
[1] | |||
| Compound Name |
(3R,5R)-1-(1,3-Benzodioxol-5-yl)-2,2-difluoro-3-hydroxy-5-tri(propan-2-yl)silyloxyhexan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322932; SCHEMBL15461790; BDBM50427605
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(2-Naphthyl)-2,2-difluoroethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322936; SCHEMBL12699944; BDBM50427604; MFCD16618115; 2,2-difluoro-1-naphthalen-2-ylethanone; 2,2-Difluoro-1-naphthalen-2-yl-ethanone; 2,2-difluoro-1-(naphthalen-2-yl)ethan-1-one
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(5E,10E,12E)-8,8-Difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322944; SCHEMBL15461792; BDBM50427607
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-(4-Acetylphenyl)-1-(1-adamantyl)-2,2-difluoro-3-methoxypropan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322937; BDBM50427602
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(6E,8E)-4,4-Difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322945; SCHEMBL15461793; BDBM50427606; (6E,8E)-2,2-Dimethyl-4,4-difluoro-5-hydroxy-6,8-decadiene-3-one
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(E)-1-(4-Chlorophenyl)-2,2-difluoro-3-hydroxyoct-4-en-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322943; SCHEMBL15461788; BDBM50427608
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-(4-Acetylphenyl)-1-(1-adamantyl)-3-hydroxypropan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2322938; BDBM50427601
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-Amino-3-phenylbutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
Phenibut; Fenibut; 4-Amino-3-phenylbutyric acid; Phenylgamma; Fenigama; Phenigam; Phenylgam; Fenigam; Pgaba; PhGaba; beta-Phenyl-gamma-aminobutyric acid; beta-(Aminomethyl)hydrocinnamic acid; beta-Phenyl-gamma-aminobutyrate; 4-Amino-3-phenyl-butyric acid; beta-(Aminomethyl)benzenepropanoic acid; Benzenepropanoic acid, .beta.-(aminomethyl)-; Benzenepropanoic acid, beta-(aminomethyl)-; 4-Amino-3-pheny-butyric acid; phenyl-GABA; Benzenepropanoic acid, b-(aminomethyl)-; Phenigama; EINECS 214-079-6; BRN 2804903; Phenibut; Fenibut; Benzenepropanoic acid, beta-(aminomethyl)-, hydrochloride; BUTYRIC ACID, 4-AMINO-3-PHENYL-; Oprea1_183000; Oprea1_381119; 4-14-00-01723 (Beilstein Handbook Reference); ARONIS24466; SCHEMBL340838; 3-phenyl-4-aminobutanoic acid; CHEMBL315818; CTK7E2850; DTXSID70870838; EX-A734; HMS3886K05; (S)-4-Amino-3-phenylbutanoicacid; ALBB-022462; BCP10710; ANW-47022; BBL000576; MFCD00456233; s4892; SBB001567; STK182861; 3-amino-2-phenylpropanecarboxylic acid; AKOS000555914; AKOS016347357; 4-AMINO-3-PHENYL BUTYRIC ACID; CCG-266416; DB13455; GS-3145; MCULE-5816217249; NE45027; KS-000025X6; ST099097; FT-0600356; D10509; 078A213; Q419559; Z1436181457
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| Activity |
Ki = 177000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Tpmpa
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|
Investigative | Compound Info | ||
| Synonyms |
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid; UNII-TR7I0800L2; CHEMBL397209; Phosphinic acid, P-methyl-P-(1,2,3,6-tetrahydro-4-pyridinyl)-; TR7I0800L2; (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid; P-Methyl-P-(1,2,3,6-tetrahydro-4-pyridinyl)phosphinic acid; Tpmpa [MI]; Methyl(1,2,3,6-tetrahydropyridinium-4-yl)phosphinate; (1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid hydrate; Biomol-NT_000236; SCHEMBL678239; BPBio1_000464; CTK7B4413; DTXSID801017153; BDBM50211642; ZINC25720700; AKOS006344745; NCGC00163284-01; B6562; SR-01000075623; J-011675; Q4540639; SR-01000075623-1; (1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinsaure; methyl(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phosphinate
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| Activity |
EC50 = 500000 nM
|
[4] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Evaluation of difluoromethyl ketones as agonists of the -aminobutyric acid type B (GABAB) receptor. J Med Chem. 2013 Mar 28;56(6):2456-65. | ||||
| REF 2 | Synthesis and resolution of beta-(aminomethyl)-4-chlorobenzeneethanesulfinic acid a potent gabaB receptor ligand. Bioorg Med Chem Lett. 1995 Feb 2;5(3):237-40. | ||||
| REF 3 | Activation of the -Aminobutyric Acid Type B (GABA(B)) Receptor by Agonists and Positive Allosteric Modulators. J Med Chem. 2015 Aug 27;58(16):6336-47. | ||||
| REF 4 | Novel Cyclic Phosphinic Acids as GABAC Receptor Antagonists: Design, Synthesis, and Pharmacology. ACS Med Chem Lett. 2010 Oct 19;2(1):11-6. | ||||
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