Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73134 | Target Info | |||
| Target Name | Beta-galactosidase (GLB1) | ||||
| Synonyms |
Lactase; Elastin receptor 1; ELNR1; Acid beta-galactosidase
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| Target Type | Clinical trial Target | ||||
| Gene Name | GLB1 | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 18 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Migalastat
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|
Approved | Compound Info | ||
| Synonyms |
DDIG; D-Galactitol, 1,5-dideoxy-1,5-imino; (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol; 1,5-Dideoxy-1,5-iminogalactitol; 2-(Hydroxymethyl)-3,4,5-piperidinetriol hydrochloride
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| Activity |
IC50 = 90000 nM
|
[1] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Butylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735277
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
(E)-3-(4-Isopropylbenzylidene)indolin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL48760; 3-(4-Isopropylbenzylidene)-2-indolinone; SU 4313; SU4313; Cyto2G7; 3-(4-ISOPROPYLBENZYLIDENE)INDOLIN-2-ONE; SCHEMBL5999626; 3-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one; ZINC1468126; BDBM50065297; MFCD00118155; AKOS001023883; CCG-274035; 3-[(E)-4-Isopropylbenzylidene]indoline-2-one; AB00711585-01; 3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-one; 3-[1-(4-Isopropyl-phenyl)-meth-(E)-ylidene]-1,3-dihydro-indol-2-one
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| Activity |
IC50 = 55000 nM
|
[3] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Hexylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3736317
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| Activity |
IC50 = 56000 nM
|
[2] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Cyclohexylmethylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735278
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| Activity |
IC50 = 60000 nM
|
[2] | |||
| Compound Name |
5-[(2S,3S,4R)-3,4-Dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methyl-3-furamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2114149; BDBM50403937; 5-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methyl-furan-3-carboxamide; N,N-Diethyl-2-methyl-5-[(2S)-3alpha,4alpha-dihydroxypyrrolidine-2alpha-yl]furan-3-carboxamide
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| Activity |
IC50 = 65000 nM
|
[4] | |||
| Compound Name |
[(1S,2R,6S,8S)-10,10-Dimethyl-3,7,9,11-tetraoxa-4-azatricyclo[6.3.0.02,6]undec-4-en-5-yl]methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL93319; BDBM50073992; (4-Aza-10,10-dimethyl-3,7,9,11-tetraoxatricyclo[6.3.0.0<2,6>]undec-4-en-5-yl)methan-1-ol
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| Activity |
Ki = 72000 nM
|
[5] | |||
| Compound Name |
Rose Bengal lactone
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Investigative | Compound Info | ||
| Synonyms |
Solvent Red 141; UNII-BIU7Q7W2SH; C.I. Solvent Red 141; BIU7Q7W2SH; Rose Bengal RB; EINECS 223-993-4; I4TCF; Rose Bengal lactone, 95%; SCHEMBL928171; CHEMBL1160160; DTXSID0048426; CTK4C7559; AKOS024319172; ZINC150338564; DB14214; MCULE-8078189818; NCGC00166255-01; DB-050774; 1-[4-(4-Methoxyphenoxy)phenyl]-1-ethanone; FT-0635160; 159R777; Q11350933
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| Activity |
IC50 = 80000 nM
|
[3] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(2-Phenylethylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735475
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| Activity |
IC50 = 86000 nM
|
[2] | |||
| Compound Name |
4-(4-Bromophenylazo)phenol
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Investigative | Compound Info | ||
| Synonyms |
(E)-4-((4-Bromophenyl)diazenyl)phenol; CHEMBL34712; 4-Bromophenylazophenol; 4-Bromo-4'-hydroxyazobenzene; Phenol, 4-[2-(4-bromophenyl)diazenyl]-; 4-(4-Bromo-phenylazo)-phenol; 4-[(4-bromophenyl)diazenyl]phenol; 4-((4-bromophenyl)diazenyl)phenol; 4-(p-Bromophenylazo)phenol; BRN 0958207; 4-((4-Bromophenyl)azo)phenol; Phenol, p-((p-bromophenyl)azo)-; AI3-09034; 4-[(4-bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one; 4-[2-(4-bromophenyl)diazen-1-yl]phenol; 4'-Bromoazobenzene-4-ol; 4-methoxy-4'-bromoazobenzene; SCHEMBL6310251; DTXSID00952696; KS-000016OF; BDBM50111585; MFCD00093929; ZINC13473130; AKOS022173401; ZINC254555142; MCULE-4935859257; AS-63621; Phenol, 4-((4-bromophenyl)azo)- (9CI); B4053; 4-[2-(4-Bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
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| Activity |
IC50 = 90000 nM
|
[3] | |||
| Compound Name |
Congo red
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|
Investigative | Compound Info | ||
| Synonyms |
DIRECT RED 28; Benzo Congo Red; C.I. Direct Red 28; Haemomedical; Congo Red 4B; Haemonorm; Hemorrhagyl; Solucongo; Congazone sodium; Sugai Congo Red; Atul Congo Red; Vondacel Red CL; Kayaku Congo Red; Mitsui Congo Red; Cotton Red L; Direct Red K; Azocard Red Congo; Congo Red H; Congo Red L; Congo Red M; Congo Red N; Congo Red R; Congo Red W; Congo Red CR; Congo Red WS; Atlantic Congo Red; Cotton Red 4BC; Cotton Red 5B; Erie Congo 4B; Tertrodirect Red C; Hispamin Congo 4B; Congo Red 4BX; Red K; Diacotton Congo Red; Peeramine Congo Red; Trisulfon Congo Red; Direct Red DC-CF; Brasilamina congo 4B; C.I. 22120; Direct Red C; Kongorot; CCRIS 2277; Congo Red ICI; UNII-3U05FHG59S; C.I. Direct Red 28, disodium salt; AI3-63036; Congo Red (C.I. 22120); MFCD00004028; Congo Red, indicator grade; CI Direct Red 28; 3U05FHG59S; Cosmos Red; Cotton Red B; Cotton Red C; Direct Red R; Direct Red Y; Congo Red RS; C.I. Direct Red 28, disodium salt (8CI); DSSTox_CID_2816; DSSTox_RID_76742; DSSTox_GSID_22816; Kongorot [German]; Cerven kongo [Czech]; Cerven kongo; Cerven prima 28 [Czech]; Cerven prima 28; Congo red [USP]; HSDB 4225; NCGC00159364-02; NSC 7232; EINECS 209-358-4; NSC 56651; congo-red; Direct Congo Red; Congo Red K; Congo Red sodium salt; SCHEMBL25635; ARONIS27040; Congo Red, JIS special grade; C32H22N6Na2O6S2; Congo Red, analytical standard; Diphenyl Bisazonaphthionic Acid; CHEMBL429694; DTXSID4022816; C32H22N6O6S2.2Na; KS-00000WTR; Congo Red, Dye content >=35 %; KS-000048JF; Tox21_111605; Tox21_202934; AKOS000282971; AKOS016368576; AKOS024285600; NCGC00260480-01; B7766; FT-0624037; Congo Red, High Purity - CAS 573-58-0; C14078; Y-8985; Q114391; W-105472
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| Activity |
IC50 = 100000 nM
|
[3] | |||
| Compound Name |
2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL83278; BDBM50104296
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| Activity |
IC50 = 110000 nM
|
[6] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Octylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735383
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| Activity |
IC50 = 120000 nM
|
[2] | |||
| Compound Name |
(3R,4S,5S,6S)-5-(Hydroxymethyl)-6-pentylpiperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4081472; BDBM50235814
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| Activity |
IC50 ~ 150000 nM
|
[7] | |||
| Compound Name |
(1R,7S)-1,7,8,9,10,10-Hexachloro-4-(2,4-dinitroanilino)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298301; BDBM50369776
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| Activity |
IC50 = 150000 nM
|
[3] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Benzylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735749
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| Activity |
IC50 = 180000 nM
|
[2] | |||
| Compound Name |
N'1,N'2-Bis(2-Hydroxybenzylidene)Oxalohydrazide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL46666; Ethanedioic acid, bis[[(2-hydroxyphenyl)methylene]hydrazide]; BDBM50111596; STK925964; ZINC36774230; AKOS001026993; ST50770093; N''1,N''2-bis(2-hydroxybenzylidene)oxalohydrazide; N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide; N'~1~,N'~2~-bis[(1E)-(2-hydroxyphenyl)methylene]ethanedihydrazide; N'~1~,N'~2~-bis[(E)-(2-hydroxyphenyl)methylidene]ethanedihydrazide; N''~1~,N''~2~-bis[(1E)-(2-hydroxyphenyl)methylene]ethanedihydrazide
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| Activity |
IC50 = 180000 nM
|
[3] | |||
| Compound Name |
Jodphthalein sodium
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Investigative | Compound Info | ||
| Synonyms |
Iodophene sodium; Cholepulvis; Cholumbrin; Iodorayoral; Iodtetragnost; Photobiline; Radiotetrane; Antinosin; Iodeikon; Iodognost; Keraphen; Piliophen; Shadocol; Stipolac; Tetraiode; Videophel; Foriod; Opacin; Tipps; Nosophene sodium; Soluble iodophthalein; Phthalein der.; DSSTox_CID_28266; DSSTox_RID_82749; DSSTox_GSID_48291; SCHEMBL867056; CHEMBL1160008; DTXSID7048291; ZINC8214581; Tox21_113639; 3',3'',5',5''-Tetraiodophenophthalein
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| Activity |
IC50 = 200000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-[2-(2,4-Difluoroanilino)-4-thiazolyl]pyrocatechol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL34034; ZINC2512068; BDBM50111591; AKOS008496996; 4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benzene-1,2-diol
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| Activity |
IC50 = 320000 nM
|
[3] | |||
| Compound Name |
1-(beta-D-Galactopyranosyl)-4-phenyl-1,2,3-triazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL575863; BDBM50298560; [1-(beta-D-Galactopyranosyl)-1H-1,2,3-triazol-4-yl]-benzene
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| Activity |
Ki = 330000 nM
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[8] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Cyclohexylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3734817
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| Activity |
IC50 = 490000 nM
|
[2] | |||
| Compound Name |
5-[(2S,3S,4R)-3,4-Dihydroxypyrrolidin-2-yl]-N-isopropyl-2-methyl-3-furamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350286; BDBM50220500; 5-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N-isopropyl-2-methyl-furan-3-carboxamide; N-Isopropyl-2-methyl-5-[(2S)-3alpha,4alpha-dihydroxypyrrolidine-2alpha-yl]furan-3-carboxamide
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| Activity |
IC50 = 500000 nM
|
[4] | |||
| Compound Name |
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL420168; 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-; 1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-; 1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-; EINECS 247-234-1; SCHEMBL4596966; DTXSID5067136; CTK1A3764; ZINC4521479; BDBM50105976; ZINC12405055; ZINC33917710; 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphtalenyl)azo)-; ZINC261081096; ZINC299872437; NCI60_004127; 2-hydroxy-1-(1-hydroxy-2-naphthylazo)naphthalene-4-sulfonic acid; 4-(1-Hydroxy-2-naphthylazo)-3-hydroxy-1-naphthalenesulfonic acid; 3-Hydroxy-4-((1-hydroxy-2-naphthyl)azo)naphthalene-1-sulphonic acid; 3-Hydroxy-4-(1-hydroxy-naphthalen-2-ylazo)-naphthalene-1-sulfonic acid; 1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-; 3-Hydroxy-4-(1-hydroxy-naphthalen-2-ylazo)-naphthalene-1-sulfonic acid anion
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| Activity |
IC50 = 600000 nM
|
[3] | |||
| Compound Name |
3-Hydroxy-4-((2-hydroxynaphthyl)azo)naphthalene-1-sulphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL124855; EINECS 219-808-1; C.I.Mordant Black 17; SCHEMBL3010602; SCHEMBL19322477; CTK1A2439; ZINC8576236; BDBM50105977; ZINC12405071; ZINC100077796; ZINC257132655; NCI60_003954; NCI60_004126; 1-(2-hydroxy-1-naphthy-lazo)-2-naphthol-4-sulfonic acid; 3-Hydroxy-4-(2-hydroxy-naphthalen-1-ylazo)-naphthalene-1-sulfonic acid; 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonic acid; 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid; 1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-; 3-Hydroxy-4-(2-hydroxy-naphthalen-1-ylazo)-naphthalene-1-sulfonic acid anion
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| Activity |
IC50 = 600000 nM
|
[3] | |||
| Compound Name |
Rel-Conduritol F
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950779; (+)-Conduritol F; BDBM50365006; 5-Cyclohexene-1alpha,2alpha,3beta,4alpha-tetrol
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| Activity |
IC50 = 600000 nM
|
[9] | |||
| Compound Name |
(3R,4S)-Pyrrolidine-3,4-diol
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Investigative | Compound Info | ||
| Synonyms |
cis-Pyrrolidine-3,4-diol; (3S,4R)-Pyrrolidine-3,4-diol; CIS-3,4-DIHYDROXYPYRROLIDINE; 3,4-Pyrrolidinediol, (3R,4S)-rel-; CHEMBL2207396; 3,4-Pyrrolidinediol,(3R,4R)-; SCHEMBL48795; (3R,4S)pyrrolidine-3,4-diol; CTK4B7379; DTXSID90537032; KS-000007QJ; KS-000007QK; (3S)-3alpha,4alpha-Pyrrolidinediol; 5860AA; ANW-72033; BDBM50402978; MFCD09910269; ZINC18284972; AKOS006310246; MCULE-8087937166; BS-12763
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| Activity |
IC50 = 720000 nM
|
[6] | |||
| Compound Name |
5-Methylpiperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL357108; SCHEMBL6432951; AKOS006378114
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(Pentan-3-ylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3736331
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
5-Methylene-piperidine-3,4-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL150938; BDBM50288854
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
1-Butyl-5-methyl-piperidine-3,4-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL356023; BDBM50288853
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
(1S,2S,3S,6R)-6-(3-Hydroxypropylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3736474
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| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Compound Name |
5-Methoxy-piperidine-3,4-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL414447; BDBM50288852
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Biological properties of D- and L-1-deoxyazasugars. J Med Chem. 2005 Mar 24;48(6):2036-44. | ||||
| REF 2 | Potent chemical chaperone compounds for GM1-gangliosidosis: N-substituted (+)-conduramine F-4 derivatives. Medchemcomm. 2015;6:306-10. | ||||
| REF 3 | A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem. 2002 Apr 11;45(8):1712-22. | ||||
| REF 4 | Synthesis of [(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-5-methylfuran-4-carboxylic acid derivatives: new leads as selective beta-galactosidase inhibitors. Bioorg Med Chem Lett. 2002 Sep 2;12(17):2335-9. | ||||
| REF 5 | Specific, uncompetitive inhibition of beta-galactosidases by a 5,6-isopropylidenedioxyfuro[2,3-d]isoxazole-3-methanol derivative. Bioorg Med Chem Lett. 1999 Jan 18;9(2):277-8. | ||||
| REF 6 | Derivatives of (2R,3R,4S)-2-aminomethylpyrrolidine-3,4-diol are selective alpha-mannosidase inhibitors. Bioorg Med Chem Lett. 2001 Sep 17;11(18):2489-93. | ||||
| REF 7 | (5aR)-5a-C-Pentyl-4-epi-isofagomine: A powerful inhibitor of lysosomal -galactosidase and a remarkable chaperone for mutations associated with GM1-gangliosidosis and Morquio disease type B. Eur J Med Chem. 2017 Jan 27;126:160-170. | ||||
| REF 8 | Synthesis and biological evaluation of (11)C-labeled beta-galactosyl triazoles as potential PET tracers for in vivo LacZ reporter gene imaging. Bioorg Med Chem. 2009 Jul 15;17(14):5117-25. | ||||
| REF 9 | Concise synthesis of (+)-conduritol F and inositol analogues from naturally available (+)-proto-quercitol and their glucosidase inhibitory activity. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1538-40. | ||||
| REF 10 | Synthesis of a new inhibitor of alpha-fucosidase. Bioorg Med Chem Lett. 1996 Mar 5;6(5):553-8. | ||||
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