Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T11241 | Target Info | |||
| Target Name | Sphingosine-1-phosphate receptor 3 (S1PR3) | ||||
| Synonyms |
Sphingosine 1-phosphate receptor Edg-3; S1PR3; S1P3; S1P receptor Edg-3; S1P receptor 3; Endothelial differentiation G-protein coupled receptor 3
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| Target Type | Patented-recorded Target | ||||
| Gene Name | S1PR3 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-Cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1392307; SR-01000105096; MLS000730243; SCHEMBL19730718; HMS2744I14; ZINC2497937; BDBM50494321; AKOS009098848; MCULE-1255258989; SMR000308519; SR-01000105096-1; SR-01000105096-4
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N,N-Dicyclohexyl-1,2-benzoxazole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1976643; BDBM50494322; SR-03000000650; SR-03000000650-2
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N,N-Dicyclohexyl-5-cyclopropylfuran-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1979472; BDBM50494305; SR-03000000648; SR-03000000648-2
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N,N-Dicyclohexyl-2-cyclopropyl-1,3-oxazole-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1989169; BDBM50494324; SR-03000000647; SR-03000000647-2
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Cyclohexyl-5-propyl-3-isoxazolecarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1478485; SR-01000104852; MLS000116363; N-cyclohexyl-5-propyl-1,2-oxazole-3-carboxamide; HMS1622N02; HMS2239F24; HMS3368O10; ZINC2498043; BDBM50494326; MCULE-6985115621; SMR000093340; N-cyclohexyl-5-propylisoxazole-3-carboxamide; SR-01000104852-1; SR-01000104852-4; Q27193416
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Cyclohexyl-N-phenyl-5-propyl-1,2-oxazole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3088202; BDBM50494311
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
1-({4-[5-(4-Propylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194578; SCHEMBL13271364; BDBM22206; 1,2,4-oxadiazole based compound, 23
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| Activity |
IC50 = 58000 nM
|
[2] | |||
| Compound Name |
3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL876726; CHEMBL3950575; BDBM192138; US9187437, 4
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| Activity |
EC50 ~ 62000 nM
|
[3] | |||
| Compound Name |
5-[2-(1-Phenylcyclohexyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL876839; CHEMBL3947171; BDBM192141; US9187437, 16
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| Activity |
EC50 ~ 62000 nM
|
[3] | |||
| Compound Name |
2-Amino-2-methyl-4-(3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)butan-1-ol
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1814929; CHEMBL3917997; BDBM197670; US9216972, 93
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|
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| Activity |
EC50 ~ 63000 nM
|
[4] | |||
| Compound Name |
C1=CC(CC(C)C)=CC=C1C1=C(Ccc=2C3=CC=C(O)C=2)C3=NO1
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1814532; CHEMBL3891908; BDBM197665; US9216972, 41
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|
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| Activity |
EC50 ~ 63000 nM
|
[4] | |||
| Compound Name |
[4-[[3-[5-Phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methyl]morpholin-3-yl]methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3967775; SCHEMBL12000576; BDBM197669; US9216972, 74
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|
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| Activity |
EC50 ~ 63000 nM
|
[4] | |||
| Compound Name |
C=12Ccc3=CC(O)=CC=C3C2=noc=1C(=NO1)C=C1C1=CC=CC=C1
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1809558; CHEMBL3984238; BDBM197663; US9216972, 32
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|
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| Activity |
EC50 ~ 63000 nM
|
[4] | |||
| Compound Name |
1-((3-(3-Phenyl-4-(trifluoromethyl)isoxazol-5-yl)-4,5-dihydro-2H-benzo[g]indazol-7-yl)methyl)azetidine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1808398; CHEMBL3964923
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|
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| Activity |
EC50 ~ 63000 nM
|
[4] | |||
| Compound Name |
5-[3-[7-(1,3-Dihydroxypropan-2-yl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836213; BDBM50419204
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|
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| Activity |
EC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2048287; SCHEMBL2562414; BDBM50386853
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
5-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883572; BDBM50209070
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
6-(Cyclohexyl(cyclopropylmethyl)amino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1081645; 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide; SCHEMBL3035620; BDBM50313323
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| Activity |
EC50 = 100000 nM
|
[8] | |||
| Compound Name |
1-[(5-Naphthalen-2-yl-1-benzothiophen-2-yl)methyl]azetidine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883597; BDBM50209025
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883447; BDBM50209035
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]butanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3885331; BDBM50209074
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
CID 44517795
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916399; SCHEMBL4429194; BDBM50357764
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|
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| Activity |
EC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2048293; SCHEMBL949280; BDBM50386859
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883812; BDBM50209028
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(R)-2-Amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1090829; SCHEMBL14263239; BDBM50315561
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
4-[[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]methyl]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884011; BDBM50209044
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4-({[7-(Naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884038; GTPL9495; BDBM50209027; compound 5c [PMID: 27894870]
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|
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 6 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-[[4-[5-[Benzoyl(butyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2207790; SCHEMBL1965766; BDBM50402726
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|
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| Activity |
EC50 = 400000 nM
|
[11] | |||
| Compound Name |
1-[[4-[5-[Butyl-(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2207786; SCHEMBL1966067; BDBM50402729
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|
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| Activity |
EC50 = 427000 nM
|
[11] | |||
| Compound Name |
1-[[4-[5-[Butyl-(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2207788; SCHEMBL1964964; BDBM50402727
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|
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| Activity |
EC50 = 720000 nM
|
[11] | |||
| Compound Name |
6-(Cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1087911; 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide; 6-[cyclohexyl(cyclopropylmethyl)amino]-N-{4-[(dimethylamino)methyl]phenyl}pyrimidine-4-carboxamide; SCHEMBL3024385; BDBM50313345
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|
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| Activity |
EC50 = 1014000 nM
|
[8] | |||
| Compound Name |
3-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1090423; SCHEMBL3035435; BDBM50313363
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|
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| Activity |
EC50 = 1094000 nM
|
[8] | |||
| Compound Name |
2-({4-[({6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl}carbonyl)amino]benzyl}amino)butanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL3030095; CHEMBL3899042; BDBM183684; US9150519, I-80
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| Activity |
EC50 = 4890000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery, design and synthesis of a selective S1P(3) receptor allosteric agonist. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6346-9. | ||||
| REF 2 | Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3. J Med Chem. 2005 Oct 6;48(20):6169-73. | ||||
| REF 3 | US patent application no. 9187437B2, Substituted oxadiazole compounds | ||||
| REF 4 | US patent application no. 9216972B2, Tricyclic heterocyclic compounds | ||||
| REF 5 | Discovery of a brain-penetrant S1P1 sparing direct agonist of the S1P1 and S1P1 receptors efficacious at low oral dose. J Med Chem. 2011 Oct 13;54(19):6724-33. | ||||
| REF 6 | Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4404-9. | ||||
| REF 7 | A benzo[b]thiophene-based selective type 4 S1P receptor agonist. Bioorg Med Chem Lett. 2017 Jan 1;27(1):1-5. | ||||
| REF 8 | US patent application no. 9150519B2, 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | ||||
| REF 9 | Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P1 agonists. Bioorg Med Chem Lett. 2011 Oct 1;21(19):6013-8. | ||||
| REF 10 | Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2520-4. | ||||
| REF 11 | Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists. Bioorg Med Chem Lett. 2012 Dec 15;22(24):7672-6. | ||||
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