Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86528 | Target Info | |||
| Target Name | Geranyltranstransferase (FDPS) | ||||
| Synonyms |
KIAA1293; Geranylgeranyl pyrophosphate synthase; Geranylgeranyl diphosphate synthase; GGPS1; GGPPSase; GGPP synthase; Farnesyltranstransferase; Farnesyl pyrophosphate synthase; Farnesyl diphosphate synthase; FPS protein; FPP synthase; Dimethylallyltranstransferase; (2E,6E)-farnesyl diphosphate synthase
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| Target Type | Successful Target | ||||
| Gene Name | FDPS | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2,8-Dimethyl-5-phosphononona-2,7-dien-5-yl)phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL261582; BDBM50373183
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(4-Cyclohexylphenyl)-4-hydroxy-6-oxo-2-phenyl-2,3-dihydro-1H-pyridine-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL271291; SCHEMBL4243191
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
[(7Z)-2,8,12-Trimethyl-5-phosphonotrideca-2,7,11-trien-5-yl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL260715; BDBM50373184
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
2-(Methyl, hexadecylsulfonium-1-yl)ethylidene-1,1-bisphosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL235481; BDBM50225562
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| Activity |
IC50 = 50118.72 nM
|
[3] | |||
| Compound Name |
Tetrasodium;[2-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-1-phosphonatoethyl]-dioxido-oxo-lambda5-phosphane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3262351; BDBM50013156
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| Activity |
IC50 = 57000 nM
|
[4] | |||
| Compound Name |
Chembl4204129
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Investigative | Compound Info | ||
| Synonyms |
BDBM50452820
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| Activity |
IC50 = 59600 nM
|
[5] | |||
| Compound Name |
2-Bromo-3-(3-pyridinyl)-2-phosphonopropionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240775; BDBM50226001
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| Activity |
IC50 ~ 60000 nM
|
[6] | |||
| Compound Name |
Hydrogen [(1r)-1-Hydroxy-2-(3-Pentadecyl-1h-Imidazol-3-Ium-1-Yl)-1-Phosphonoethyl]phosphonate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2338367; BDBM50428303; Q27458399
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| Activity |
IC50 = 60000 nM
|
[7] | |||
| Compound Name |
Chembl4204500
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Investigative | Compound Info | ||
| Synonyms |
BDBM50452818
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| Activity |
IC50 = 62200 nM
|
[5] | |||
| Compound Name |
(1-Aminoethylidene)bisphosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
(1-amino-1-phosphonoethyl)phosphonic acid; CHEMBL371748; EINECS 239-120-5; SCHEMBL143769; 1-amino-1,1-diphosphono ethane; CTK4C6668; 1-aminoethylidenediphosphonic acid; DTXSID50164560; 1-Aminoethylidenebisphosphonic acid; 1-aminoethane-1,1-diphosphonic acid; BDBM50173054; STL347102; ZINC20462611; 1-amino ethane-1,1-diphosphonic acid; 1-aminoethane-1, 1-diphosphonic acid; 1-aminoethane-1,1 -diphosphonic acid; AKOS001015792; MCULE-7796570262; (1-Aminoethane-1,1-diyl)diphosphonic acid; (1-Amino-1-phosphono-ethyl)-phosphonic acid; Phosphonic acid,P,P'-(1-aminoethylidene)bis-; (1-aminoethane-1,1-diyl)bis(phosphonic acid)
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| Activity |
IC50 = 66650 nM
|
[8] | |||
| Compound Name |
Chembl4209926
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Investigative | Compound Info | ||
| Synonyms |
BDBM50452819
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| Activity |
IC50 = 71400 nM
|
[5] | |||
| Compound Name |
[Phosphono(thiomorpholin-4-yl)methyl]phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL299563; Thiomorpholinomethylenediphosphonic Acid; 4-thiomorpholinylmethylene-1,1-bisphosphonate; Phosphonicacid, P,P'-(4-thiomorpholinylmethylene)bis-; NSC723978; ACMC-20bxoz; SCHEMBL1471965; CTK0I3697; DTXSID60328095; BDBM50135840; NSC-723978; 4-(Bis-phosphono-methyl)-thiomorpholin-4-ium; (4-Thiomorpholinylmethylene)-bisphosphonic acid; (Phosphono-thiomorpholin-4-yl-methyl)-phosphonic acid; (Tetrahydro-4H-1,4-thiazine-4-yl)methylenebisphosphonic acid
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| Activity |
IC50 = 75857.76 nM
|
[9] | |||
| Compound Name |
Tetrasodium;[2-[1-[(2Z)-3,7-dimethylocta-2,6-dienyl]triazol-4-yl]-1-phosphonatoethyl]-dioxido-oxo-lambda5-phosphane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3262352; BDBM50013157
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| Activity |
IC50 = 79000 nM
|
[4] | |||
| Compound Name |
Tetrasodium;[2-[1-(3,7-dimethylocta-2,6-dienyl)triazol-4-yl]-1-phosphonatoethyl]-dioxido-oxo-lambda5-phosphane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2315880
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| Activity |
IC50 = 84000 nM
|
[4] | |||
| Compound Name |
[[Hydroxy(methyl)phosphoryl]-[(3-methylpyridin-2-yl)amino]methyl]-methylphosphinic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL260340; BDBM50373091
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| Activity |
Ki = 93000 nM
|
[10] | |||
| Compound Name |
Chembl4207051
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Investigative | Compound Info | ||
| Synonyms |
BDBM50452822
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| Activity |
IC50 = 94300 nM
|
[5] | |||
| Compound Name |
Bisdethiobis(methylthio)gliotoxin
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Investigative | Compound Info | ||
| Synonyms |
bis(methylthio)gliotoxin; FR-49175; CHEMBL1088981; dimethylgliotoxin; AC1L4YI4; Bis(methylthio)gliotoxin(fr-49175); S,S-Dimethyl gliotoxin; FR 49175; bis(methylsulfanyl)gliotoxin; Bis(methylthio)gliotoxin, 99%; GTPL3150; SCHEMBL18652994; CTK5D9420; DTXSID70995590; 3R,10Ar-Dithiomethyl Gliotoxin A; ZINC5599818; BDBM50315535; MFCD00133146; MCULE-1105801460; NCGC00380667-01; Q27077740
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
{[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-5-Yl]methyl}phosphonic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4093973; 6O3
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
Chembl4211053
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Investigative | Compound Info | ||
| Synonyms |
BDBM50452816
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
12-Hydroxy-2-(4-methylphenyl)-13-oxa-3-thia-5,7-diaza-12lambda5-phosphatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraene 12-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4062145
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| Activity |
IC50 ~ 100000 nM
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[12] | |||
| Compound Name |
Phosphonic acid, propylidenebis-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL111593; 1,1-Propanediphosphonic acid; 1-phosphonopropylphosphonic acid; propane diphosphonate; Propylidenebisphosphonic acid; SCHEMBL1563643; DTXSID30197230; BDBM50132603; (1-Phosphono-propyl)-phosphonic acid
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
1-(5-Methyl-4-hexenyl)-4-[2,2-bis[bis(sodiooxy)phosphinyl]ethyl]-1H-1,2,3-triazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4069787; BDBM50237987; J3.615.187K
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| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
Phosphonic acid, (1-hydroxybutylidene)di-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL52761; (1-hydroxy-1-phosphonobutyl)phosphonic acid; SCHEMBL594692; DTXSID70168580; 1-Hydroxybutylidenebisphosphonic acid; BDBM50097884; 1-hydroxybutane-1,1-diyldiphosphonic acid; Phosphonic acid, (1-hydroxybutylidene)bis-; (1-Hydroxy-1-phosphono-butyl)-phosphonic acid
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(Thieno[2,3-d]pyrimidin-4-ylamino)methylphosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4079020; BDBM50235459
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| Activity |
IC50 ~ 100000 nM
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[12] | |||
| Compound Name |
2-Pyridin-3-ylethylphosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL261311; SCHEMBL5661023; BDBM50373092
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| Activity |
Ki = 128300 nM
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[10] | |||
| Compound Name |
(1-Amino-1-phosphonopropyl)phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196578; (1-Aminopropane-1,1-diyl)diphosphonic acid; Phosphonic acid, P,P'-(1-aminopropylidene)bis-; SCHEMBL457919; C3H11NO6P2; 1-amino-1,1-diphosphono propane; CS-B0375; ZINC4352585; 2831AH; BDBM50173057; (1-Aminopropylidene)bisphosphonic acid; 1-amino propane-1,1-diphosphonic acid; 1-aminopropane-1, 1-diphosphonic acid; AS-67163; (1-Amino-1-phosphono-propyl)-phosphonic acid; Phosphonic acid,P,P'-(1-aMinopropylidene)bis-
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| Activity |
IC50 = 149590 nM
|
[8] | |||
| Compound Name |
(1-Phosphono-butyl)-phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL112840; Butylidenebisphosphonic acid; 1-phosphonobutylphosphonic acid; butane-1,1-bisphosphonic acid; SCHEMBL4095556; BDBM50132599
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| Activity |
IC50 = 150360 nM
|
[13] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-Chloro-3-(3-pyridinyl)-2-phosphonopropionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240772; BDBM50225998; 2-Chloro-2-(phosphono)-3-(3-pyridinyl)propanoic acid
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| Activity |
IC50 > 600000 nM
|
[6] | |||
| Compound Name |
2-Fluoro-3-(3-pyridinyl)-2-phosphonopropionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240771; BDBM50226000; 2-fluoro-2-phosphono-3-pyridin-3-ylpropanoic acid
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| Activity |
IC50 > 600000 nM
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[6] | |||
| Compound Name |
3-(3-Pyridinyl)-2-phosphonopropionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240776; SCHEMBL7863043; BDBM50083066; 2-phosphono-3-pyridin-3-ylpropanoic acid
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| Activity |
IC50 = 1000000 nM
|
[15] | |||
| Compound Name |
2-Hydroxy-3-(1-oxidopyridin-1-ium-3-yl)-2-phosphonopropanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3422845; BDBM50083065
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| Activity |
IC50 = 2000000 nM
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[15] | |||
| Compound Name |
3-(1-Oxidopyridin-1-ium-3-yl)-2-phosphonopropanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3422846; BDBM50083067
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| Activity |
IC50 > 2000000 nM
|
[15] | |||
| Compound Name |
2-(6-Methoxy-1-benzofuran-3-yl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
2-(6-Methoxybenzofuran-3-yl)acetic acid; (6-Methoxy-1-Benzofuran-3-Yl)acetic Acid; 2-(6-methoxybenzo[b]furan-3-yl)acetic acid; Maybridge3_004130; 3-benzofuranacetic acid, 6-methoxy-; CID736818; Oprea1_614850; SCHEMBL204937; CHEMBL1234470; BDBM36502; 6-Methoxybenzofuran-3-acetic acid; HMS1442L16; ZINC161694; KS-00002A6K; CCG-46960; MFCD02677734; SBB039212; STL195421; AKOS000103491; MCULE-6656731637; NE23312; PS-4406; SDCCGMLS-0066153.P001; VZ23236; IDI1_015517; (6-methoxy-benzofuran-3-yl)-acetic acid; (6-Methoxybenzo[b]furan-3-yl)acetic aci; AC-26520; (6-Methoxybenzo[b]furan-3-yl)acetic acid; DB-019482; FT-0608709; ST50146735; Y9852; 2-(6-Methoxybenzofuran-3-yl)acetic acid, 3; 2-(6-methoxy-1-benzofuran-3-yl)-acetic acid; AB00721560-01; J-506172; SR-01000636623-1; 2-(6-METHOXY-1-benzo[b]furan-3-YL)ACETIC ACID; BRD-K09331576-001-01-7; Q27463512; 2-(6-methoxy-1-benzofuran-3-yl)acetic acid, AldrichCPR
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| Activity |
IC50 > 500000000 nM
|
[16] | |||
| Compound Name |
5-Chlorobenzo[b]thiophene-3-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid; 2-(5-chloro-1-benzothiophen-3-yl)acetic acid; (5-chloro-1-benzothiophen-3-yl)acetic acid; (5-Chloro-1-benzothien-3-yl)acetic acid; Benzo(b)thiophene-3-acetic acid, 5-chloro-; 5-Chlorobenzo(b)thiophene-3-acetic acid; MFCD00052308; BRN 1244795; CID205058; Maybridge4_002620; ACMC-20am45; Oprea1_626164; 5-18-06-00448 (Beilstein Handbook Reference); SCHEMBL1520041; CHEMBL1230159; BDBM36500; CTK0H6363; DTXSID60169364; HMS1528H02; ZINC162019; 5-Chlorothianaphthene-3-acetic acid; 5-chlorobenzothiophene-3-acetic acid; 5554AD; SBB079526; AKOS022181661; CCG-251690; MCULE-9754763413; NE25486; VT20337; IDI1_032498; AS-47810; Benzo[b]thiophene-3-aceticacid,5-chloro-; BP-11257; SC-54392; 5-chlorobenzo[b]thiophen-3-yl acetic acid; Benzo[b]thiophene-3-aceticacid, 5-chloro-; DB-026338; (5-Chloro-1-benzothien-3-yl)acetic acid #; FT-0620310; ST50408153; 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1; AN-278/25047014; Q27453945; Z1495385180; 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid, AldrichCPR
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| Activity |
IC50 > 500000000 nM
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[16] | |||
| Compound Name |
Tianafac
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Investigative | Compound Info | ||
| Synonyms |
2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid; 5-chloro-3-methylbenzo[b]thiophene-2-acetic acid; 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid; UNII-P0T3ZRK3XV; P0T3ZRK3XV; Tianafacum; Tianafaco; Tianafac [INN]; 5-Chloro-3-methylbenzo(b)thiophene-2-acetic acid; Tianafacum [INN-Latin]; 5-chloro-3-methyl-benzo[b]thiophene-2-acetic acid; Tianafaco [INN-Spanish]; CID68686; Maybridge3_004243; Oprea1_528058; MLS006012013; SCHEMBL2109723; CHEMBL1230158; BDBM36501; CTK1H0344; DTXSID70199495; HMS1443A19; ZINC162030; KS-00002A6U; ANW-47174; MFCD00052300; SBB099348; AKOS015898780; CCG-251625; MCULE-5538031278; PS-4434; IDI1_015630; AC-26515; BP-13240; BR-32025; SMR002530107; AB0025220; DB-071369; FT-0608697; W6639; L-8109; S-4784; 527C196; SR-01000944784; (5-Chloro-3-methyl-1-benzothien-2-yl)acetic acid; (5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic aci; Benzo[b]thiophene-2-aceticacid, 5-chloro-3-methyl-; SR-01000944784-1; (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid; Benzo(b)thiophene-2-acetic acid, 5-chloro-3-methyl-; BRD-K60870401-001-01-1; Q27285967; 2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid, 2; 2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid, AldrichCPR
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| Activity |
IC50 > 500000000 nM
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[16] | |||
| Compound Name |
(2S)-1-[(Benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
(S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic acid; (2S)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid; CID6932064; N-Cbz-(S)-indoline-2-carboxylic acid; SCHEMBL3208272; CHEMBL1230160; BDBM36503; CTK4A2893; 1H-Indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-(phenylmethyl) ester, (2S)-; ZINC158774; STR09835; (S)2,3-DIHYDRO-INDOLE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER; AKOS015911579; n-benzyloxycarbonyl-2(s)-indolinecarboxylic acid; 1-benzyloxycarbonyl-indoline-2(S)-carboxylic acid; 261D792; n-benzyloxycarbonyl-2(s)-indoline-carboxylic acid; (S)-1-(benzyloxycarbonyl)indoline-2-carboxylic acid; Indoline 1,2alpha-dicarboxylic acid 1-benzyl ester; Q27453946; N-benzyloxycarbonyl-(S)-(-)-indoline-2-carboxylic acid; (S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic acid, 4; (S)-2,3-Dihydro-indole-1,2-dicarboxylic acid 1-benzyl ester; (S)-2,3-Dihydroindole-1,2-dicarboxylic acid 1-benzyl ester
Click to Show/Hide
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| Activity |
IC50 > 500000000 nM
|
[16] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Pivaloyloxymethyl-modified isoprenoid bisphosphonates display enhanced inhibition of cellular geranylgeranylation. Bioorg Med Chem. 2008 Apr 1;16(7):3652-60. | ||||
| REF 2 | Design and structure-activity relationships of potent and selective inhibitors of undecaprenyl pyrophosphate synthase (UPPS): tetramic, tetronic acids and dihydropyridin-2-ones. Bioorg Med Chem Lett.2008 Mar 15;18(6):1840-4. | ||||
| REF 3 | Activity of sulfonium bisphosphonates on tumor cell lines. J Med Chem. 2007 Nov 29;50(24):6067-79. | ||||
| REF 4 | Geranyl and neryl triazole bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase. Bioorg Med Chem. 2014 May 1;22(9):2791-8. | ||||
| REF 5 | alpha-Methylation enhances the potency of isoprenoid triazole bisphosphonates as geranylgeranyl diphosphate synthase inhibitors. Bioorg Med Chem. 2018 Jan 15;26(2):376-385. | ||||
| REF 6 | Synthesis and biological evaluation of alpha-halogenated bisphosphonate and phosphonocarboxylate analogues of risedronate. J Med Chem. 2007 Nov 29;50(24):5967-75. | ||||
| REF 7 | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett. 2013 Apr 11;4(4):423-427. | ||||
| REF 8 | Synthesis and biological evaluation of 1-amino-1,1-bisphosphonates derived from fatty acids against Trypanosoma cruzi targeting farnesyl pyrophosphate synthase. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4685-90. | ||||
| REF 9 | 3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates. J Med Chem. 2003 Nov 20;46(24):5171-83. | ||||
| REF 10 | Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of hu... J Med Chem. 2008 Apr 10;51(7):2187-95. | ||||
| REF 11 | Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi. Bioorg Med Chem. 2010 Apr 1;18(7):2566-74. | ||||
| REF 12 | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J Med Chem. 2017 Mar 9;60(5):2119-2134. | ||||
| REF 13 | Bisphosphonates derived from fatty acids are potent inhibitors of Trypanosoma cruzi farnesyl pyrophosphate synthase. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3231-5. | ||||
| REF 14 | Bishomoisoprenoid triazole bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase. Bioorg Med Chem. 2017 Apr 15;25(8):2437-2444. | ||||
| REF 15 | N-Oxide derivatives of 3-(3-pyridyl)-2-phosphonopropanoic acids as potential inhibitors of Rab geranylgeranylation. Bioorg Med Chem Lett. 2015 Jun 1;25(11):2331-4. | ||||
| REF 16 | Biased and unbiased strategies to identify biologically active small molecules. Bioorg Med Chem. 2014 Aug 15;22(16):4474-89. | ||||
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