Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63512 | Target Info | |||
| Target Name | Extracellular lysophospholipase D (E-NPP2) | ||||
| Synonyms |
LysoPLD; Ectonucleotide pyrophosphatase/phosphodiesterase family member 2; E-NPP 2; Autotaxin; ATX
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| Target Type | Clinical trial Target | ||||
| Gene Name | ENPP2 | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Methyl4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1172970; BDBM50322721
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| Activity |
IC50 = 60900 nM
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[1] | |||
| Compound Name |
N-(3,4-Dimethoxyphenyl)-2-(5-methoxy-3H-imidazo[4,5-b]pyridine-2-ylthio)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360884; SCHEMBL20305107; BDBM50031827
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| Activity |
Ki = 71200 nM
|
[2] | |||
| Compound Name |
[(2S,3S)-3-(Hexadecanoylamino)-2-hydroxy-4-(4-phenylmethoxyphenyl)butyl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1632524
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| Activity |
Ki = 83000 nM
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[3] | |||
| Compound Name |
3-Benzyl-5-benzylidenethiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173487; SCHEMBL3284901; ZINC1189287; BDBM50322712; AKOS002220263; BIM-0035852.P001; ST50115840; 3-(Benzyl)-5-(benzylidene)thiazolidine-2,4-dione; 5-[(Z)-Benzylidene]-3-benzylthiazolidine-2,4-dione; 3-benzyl-5-(phenylmethylene)-1,3-thiazolidine-2,4-dione
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-(4-(Benzyloxy)benzylidene)-3-(4-tert-butylbenzyl)thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173417; BDBM50322713
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Methyl4-((4-((3-(4-tert-butylbenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)methyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1172921; BDBM50322720
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-Benzylidene-3-(4-fluorobenzyl)thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173488; ZINC1011147; BDBM50322711; STL296287; AKOS000404819; AN-988/40680279; 5-benzylidene-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione; (5Z)-5-benzylidene-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Methyl 4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1172969; BDBM50322722
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-(4-(Benzyloxy)benzylidene)-3-(4-nitrobenzyl)thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173312; BDBM50322714; AKOS002417404
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-Benzyl-5-(4-(benzyloxy)-3-methoxybenzylidene)thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1172922; ZINC1183272; BDBM50322719; STL296875; AKOS000413642; (5Z)-3-benzyl-5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-thiazolidine-2,4-dione
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
5-(4-(Benzyloxy)-3-methoxybenzylidene)-3-(4-nitrobenzyl)thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1172986; BDBM50322717
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-Hydroxybenzofurazan
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Investigative | Compound Info | ||
| Synonyms |
2,1,3-benzoxadiazol-5-ol; 5-Hydroxy-2,1,3-benzoxadiazole; 1H-2,1,3-benzoxadiazol-6-one; Benzo[c][1,2,5]oxadiazol-5-ol; benzo[2,1,3]oxadiazol-5-ol; CHEMBL4060380; 2,1,3-BENZODIAZOL-5-OL; LITHIUMMANGANITE; SCHEMBL1358998; CTK2H6897; benzo[c]1,2,5-oxadiazol-5-ol; DTXSID20371426; ZINC161315; BDBM50266948; MFCD00173849; SBB085915; 5-Hydroxybenzo[c][1,2,5]oxadiazole; AKOS006227996; ZINC100490904; SDCCGMLS-0066140.P001; VZ30383; 2,1,3-benzoxadiazol-5-ol, AldrichCPR; PS-11814; DB-056135; EU-0033403; FT-0609004; Y4040; J-506698
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| Activity |
IC50 = 199526.23 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 8 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-(1H-IMIDAZOL-1-YL)PHENOL
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Investigative | Compound Info | ||
| Synonyms |
4-(Imidazol-1-yl)phenol; 10041-02-8; 4-(1h-imidazol-1-yl)phenol; 4-Imidazol-1-yl-phenol; 4-(1-Imidazolyl)Phenol; Phenol, 4-(1H-imidazol-1-yl)-; 1-(p-Hydroxyphenyl)imidazole; 1-(4-Hydroxyphenyl)imidazole; p-(1-imidazolyl)phenol; CYKCUAPYWQDIKR-UHFFFAOYSA-N; 4-imidazolylphenol; (1H& imidazol& 1& yl)phenol (Compound 1); EINECS 233-121-4; 4-imidazol-1-ylphenol; 4m5r; p-(Imidazol-1-yl)phenol; ACMC-209vy5; AC1Q78RW; AC1Q4YG7; 4-(1H-imidazol-yl)phenol; 4(1H-imidazol-1-yl)phenol
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| Activity |
IC50 = 501187.23 nM
|
[4] | |||
| Compound Name |
[(2S,3S)-4-[4-[(3,5-Dimethylphenyl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1632618
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| Activity |
Ki = 217500 nM
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[3] | |||
| Compound Name |
3-(4H-[1,2,4]Triazol-3-yl)-phenylamine
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Investigative | Compound Info | ||
| Synonyms |
3-(4H-1,2,4-triazol-3-yl)aniline; 3-(1H-1,2,4-triazol-3-yl)aniline; 3-(1H-1,2,4-triazol-5-yl)aniline; CHEMBL4079823; SCHEMBL3080603; CTK7D8868; CTK8F4690; HMS1700L01; ZINC4384351; BBL032483; BDBM50266953; STL360826; AKOS000302768; AKOS005188428; MCULE-6749901056; NE47196; BB 0257661; EN300-76519; Z1267881699
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| Activity |
IC50 = 251188.64 nM
|
[4] | |||
| Compound Name |
[(2S,3S)-4-[4-[(3,5-Dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1632530
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| Activity |
Ki = 399000 nM
|
[3] | |||
| Compound Name |
4-(Methylsulfonyl)phenol
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Investigative | Compound Info | ||
| Synonyms |
4-methylsulfonylphenol; 4-Methanesulfonyl-phenol; 4-Hydroxyphenyl methyl sulfone; 4-methanesulfonylphenol; phenol, 4-(methylsulfonyl)-; 4-methylsulphonylphenol; Phenol, p-(methylsulfonyl)-; UNII-F7BIF7ZQJ9; 4-(methylsulphonyl)phenol; MFCD00047806; F7BIF7ZQJ9; CHEMBL66861; 4-(Methylsulfonyl)phenol, 95%; p-(Methylsulfonyl)phenol; p-Hydroxyphenyl methyl sulfone; 4-methylsulfonyl phenol; p-methylsulphonylphenol; 4-methylsulfonyl-phenol; PubChem10832; 4-methanesulphonylphenol; ACMC-209cyz; p-methyl sulfonyl phenol; 4-(methanesulfonyl)phenol; 4-(methylsulfonyl) phenol; 4-(Methylsulfonyl)-phenol; SCHEMBL1535; Phenol,4-(methylsulfonyl)-; KSC525I9R; CTK4C5498; KS-00000LRZ; DTXSID80163763; ZINC153757; CS(=O)(=O)c1ccc([O])cc1; ACT00996; ALBB-008820; ANW-21081; BDBM50266956; SBB049566; STK505595; Phenol, 4-(methylsulfonyl)- (9CI); AKOS005171779; AB02067; AC-1241; CS-W004825; MCULE-5075686474; PS-3171; QC-7392; VZ27920; AK-73113; BP-10814; BR-73113; SC-19544; SY007820; AB0022370; DB-008353; AM20061098; FT-0637135; ST50405748; W3220; 4-(Methylsulfonyl)phenol, analytical standard; EN300-23056; C-4996; 65854-EP2305648A1; 65854-EP2308840A1; 763M601; AE-848/33833060; J-008378; J-515826; Q27277760; BENZENE,1-HYDROXY,4-METHYLSULFONYL (PHENOL,4-METHYLSULFONYL)
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| Activity |
IC50 = 630957.34 nM
|
[4] | |||
| Compound Name |
1H-Indole-6-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
Indole-6-carboxylic acid; 6-Indolecarboxylic acid; 6-carboxyindole; MFCD00210441; CHEMBL1229732; MLS000039633; PubChem1695; 6-carboxy-1H-indole; Indole-6-carboxylicacid; indol-6-carboxylic acid; 6-indole carboxylic acid; indole 6-carboxylic acid; Maybridge4_003509; ACMC-1CA9K; Oprea1_870961; SCHEMBL50542; KSC181S6F; 1H-indole-6-carbonsure; 1H-Indole-6-carboxylic acid #; CTK0I1962; Indole-6-carboxylic acid, 97%; ZINC58267; HMS1530P11; HMS2158J13; HMS3308H18; Indole-6-carboxylic acid, 98+%; ACN-S002681; ACN-S004118; ACT02577; ALBB-006287; BCP26387; KS-00000CF7; ANW-22254; BBL001441; BDBM50266945; SBB000134; STK503806; AKOS000264713; AC-3144; CS-W016136; FS-1724; LS20931; MCULE-3670701433; PB12137; SB10578; NCGC00068410-02; AK-25192; BR-25192; SC-01581; SMR000037044; SY004025; AB0012051; DB-003038; AM20030118; FT-0627226; FT-0655544; FT-0723541; I0663; ST50331818; EN300-39568; B-2285; I-2350; 670I822; BRD-K90468391-001-01-0; Q27452002; F2158-0225; Z1217910492; 1H-INDOLE-6-CARBOXYLICACID, RADICAL ION(1+) (9CI)
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| Activity |
IC50 = 794328.23 nM
|
[4] | |||
| Compound Name |
[(2S,3S)-4-[4-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1632615
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| Activity |
Ki = 1059200 nM
|
[3] | |||
| Compound Name |
3-(Aminomethyl)phenol
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Investigative | Compound Info | ||
| Synonyms |
3-Hydroxybenzylamine; Phenol, 3-(aminomethyl)-; MFCD00798977; CHEMBL4069065; 3-Hydroxybenzylamine, (3-Hydroxyphenyl)Methylamine; 3-aminomethyl-phenol; 3-Aminomethyl phenol; 3-hydroxy-benzylamine; Oprea1_183112; SCHEMBL138953; ZINC153937; 3-(aminomethyl)phenol, AldrichCPR; KS-000009GK; ANW-47103; BDBM50266949; KM1556; AKOS000142955; PS-3756; AK-82457; SC-12404; SY005415; DB-074717; CS-0079906; FT-0676936; W8167; EN300-51749; BRD-K63116520-001-01-2; Q27216219
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| Activity |
IC50 = 1258925.41 nM
|
[4] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and optimization of boronic acid based inhibitors of autotaxin. J Med Chem. 2010 Jul 8;53(13):4958-67. | ||||
| REF 2 | Imidazopyridine- and purine-thioacetamide derivatives: potent inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1 (NPP1). J Med Chem. 2014 Dec 11;57(23):10080-100. | ||||
| REF 3 | Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX). Bioorg Med Chem Lett. 2010 Dec 1;20(23):7132-6. | ||||
| REF 4 | Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes. J Med Chem. 2017 Jun 22;60(12):5209-5215. | ||||
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