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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'overhand' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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24n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50002834
PNG
(CHEMBL3233658)
Show SMILES Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCC(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H19F3O3/c25-24(26,27)16-30-23-15-19(2-1-17-5-11-21(28)12-6-17)4-10-20(23)9-3-18-7-13-22(29)14-8-18/h1-15,28-29H,16H2/b2-1+,9-3+
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39n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50002835
PNG
(CHEMBL3233659)
Show SMILES Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCCCC(F)(F)F)c2)cc1
Show InChI InChI=1S/C26H23F3O3/c27-26(28,29)16-1-17-32-25-18-21(3-2-19-6-12-23(30)13-7-19)5-11-22(25)10-4-20-8-14-24(31)15-9-20/h2-15,18,30-31H,1,16-17H2/b3-2+,10-4+
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56n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50002836
PNG
(CHEMBL3233660)
Show SMILES Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C26H17F9O3/c27-24(28,29)23(25(30,31)32,26(33,34)35)38-22-15-18(2-1-16-5-11-20(36)12-6-16)4-10-19(22)9-3-17-7-13-21(37)14-8-17/h1-15,36-37H/b2-1+,9-3+
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84n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50002833
PNG
(CHEMBL3233657)
Show SMILES Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F3O2/c24-23(25,26)22-15-18(2-1-16-5-11-20(27)12-6-16)4-10-19(22)9-3-17-7-13-21(28)14-8-17/h1-15,27-28H/b2-1+,9-3+
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244n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 0.00100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50290252
PNG
(CHEMBL78510 | potassium; (3E,7E)-4,8,12-trimethyl-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150667
PNG
((S)-2-({(2S,3S,6R)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H41N3O6S3/c1-26(2,3)38-37-16-19(27)23(30)28-14-18-10-11-21(34-15-17-8-6-5-7-9-17)22(35-18)24(31)29-20(25(32)33)12-13-36-4/h5-9,18-22H,10-16,27H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)/t18-,19+,20+,21+,22+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50122992
PNG
(CHEMBL2370448 | [(1R,15S,16R,17S)-11-(3-Guanidino-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)C[C@@H]2O[C@H](CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C19H31N7O9/c20-19(21)22-3-1-2-8-17(33)24-7-13(28)26-9(4-14(29)30)18(34)23-6-11-16(32)15(31)10(35-11)5-12(27)25-8/h8-11,15-16,31-32H,1-7H2,(H,23,34)(H,24,33)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,22)/t8-,9-,10-,11+,15-,16+/m0/s1
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n/an/a 384n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-echistatin from alphaIIb-beta3 integrin of human platelets


Citation and Details
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50366346
PNG
(CHEMBL1790477)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H36N4O5S2/c1-6-11(4)15(18(26)21-13(19(27)28)7-8-30-5)23-17(25)14(10(2)3)22-16(24)12(20)9-29/h10-15,29H,6-9,20H2,1-5H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)/t11-,12+,13+,14+,15+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299752
PNG
((1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H39NO5/c25-12-17-20(26)21(27)18-19(22(18)29-17)24-4-2-1-3-5-28-13-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-22,24-27H,1-13H2/t14?,15?,16?,17-,18?,19+,20-,21-,22+,23?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299754
PNG
(CHEMBL577370 | N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydrox...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H37NO6/c25-11-16-20(27)21(28)18-19(22(18)30-16)24-17(26)3-1-2-4-29-12-23-8-13-5-14(9-23)7-15(6-13)10-23/h13-16,18-22,25,27-28H,1-12H2,(H,24,26)/t13?,14?,15?,16-,18?,19+,20-,21-,22+,23?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299753
PNG
(CHEMBL584580 | N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydrox...)
Show SMILES CCCC(=O)N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C11H19NO5/c1-2-3-6(14)12-8-7-10(16)9(15)5(4-13)17-11(7)8/h5,7-11,13,15-16H,2-4H2,1H3,(H,12,14)/t5-,7-,8+,9-,10-,11+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299754
PNG
(CHEMBL577370 | N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydrox...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H37NO6/c25-11-16-20(27)21(28)18-19(22(18)30-16)24-17(26)3-1-2-4-29-12-23-8-13-5-14(9-23)7-15(6-13)10-23/h13-16,18-22,25,27-28H,1-12H2,(H,24,26)/t13?,14?,15?,16-,18?,19+,20-,21-,22+,23?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299753
PNG
(CHEMBL584580 | N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydrox...)
Show SMILES CCCC(=O)N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C11H19NO5/c1-2-3-6(14)12-8-7-10(16)9(15)5(4-13)17-11(7)8/h5,7-11,13,15-16H,2-4H2,1H3,(H,12,14)/t5-,7-,8+,9-,10-,11+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299752
PNG
((1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl...)
Show SMILES OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H39NO5/c25-12-17-20(26)21(27)18-19(22(18)29-17)24-4-2-1-3-5-28-13-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-22,24-27H,1-13H2/t14?,15?,16?,17-,18?,19+,20-,21-,22+,23?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299751
PNG
((1S,3R,4S,5R,6R,7S)-N-butyl-4,5-dihydroxy-3-(hydro...)
Show SMILES CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C11H21NO4/c1-2-3-4-12-8-7-10(15)9(14)6(5-13)16-11(7)8/h6-15H,2-5H2,1H3/t6-,7?,8+,9-,10-,11+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM50299750
PNG
((1S,3R,4S,5R,6R,7S)-4,5-Dihydroxy-3-(hydroxymethyl...)
Show SMILES N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C7H13NO4/c8-4-3-6(11)5(10)2(1-9)12-7(3)4/h2-7,9-11H,1,8H2/t2-,3?,4+,5-,6-,7+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GBA2


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299751
PNG
((1S,3R,4S,5R,6R,7S)-N-butyl-4,5-dihydroxy-3-(hydro...)
Show SMILES CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C11H21NO4/c1-2-3-4-12-8-7-10(15)9(14)6(5-13)16-11(7)8/h6-15H,2-5H2,1H3/t6-,7?,8+,9-,10-,11+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50299750
PNG
((1S,3R,4S,5R,6R,7S)-4,5-Dihydroxy-3-(hydroxymethyl...)
Show SMILES N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C7H13NO4/c8-4-3-6(11)5(10)2(1-9)12-7(3)4/h2-7,9-11H,1,8H2/t2-,3?,4+,5-,6-,7+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50290254
PNG
(CHEMBL80021 | pentapotassium ({[(3E,7E)-4,8,12-tri...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C17H33O8P3/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(28(23,24)25)26(18,19)13-27(20,21)22/h7,9,12,16H,5-6,8,10-11,13H2,1-4H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)/p-5/b15-9+,17-12?
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50122992
PNG
(CHEMBL2370448 | [(1R,15S,16R,17S)-11-(3-Guanidino-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)C[C@@H]2O[C@H](CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C19H31N7O9/c20-19(21)22-3-1-2-8-17(33)24-7-13(28)26-9(4-14(29)30)18(34)23-6-11-16(32)15(31)10(35-11)5-12(27)25-8/h8-11,15-16,31-32H,1-7H2,(H,23,34)(H,24,33)(H,25,27)(H,26,28)(H,29,30)(H4,20,21,22)/t8-,9-,10-,11+,15-,16+/m0/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-echistatin from alphaV-beta3 integrin of human skin fibroblasts


Citation and Details
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50290254
PNG
(CHEMBL80021 | pentapotassium ({[(3E,7E)-4,8,12-tri...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C17H33O8P3/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(28(23,24)25)26(18,19)13-27(20,21)22/h7,9,12,16H,5-6,8,10-11,13H2,1-4H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)/p-5/b15-9+,17-12?
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n/an/a 1.81E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150666
PNG
((S)-2-({(2S,3S,6R)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CS(=O)CC[C@H](NC(=O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H41N3O7S3/c1-26(2,3)38-37-16-19(27)23(30)28-14-18-10-11-21(35-15-17-8-6-5-7-9-17)22(36-18)24(31)29-20(25(32)33)12-13-39(4)34/h5-9,18-22H,10-16,27H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)/t18-,19+,20+,21+,22+,39?/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50290253
PNG
(CHEMBL21986 | pentapotassium ({[(6E,10E,15E,19E)-2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)(P([O-])([O-])=O)P([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C32H57O8P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(43(38,39)40,41(33,34)25-42(35,36)37)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-25H2,1-8H3,(H,33,34)(H2,35,36,37)(H2,38,39,40)/p-5/b28-17+,29-18+,30-21+,31-22+
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n/an/a 3.99E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50290252
PNG
(CHEMBL78510 | potassium; (3E,7E)-4,8,12-trimethyl-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+
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n/an/a 1.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150662
PNG
((S)-2-({(2S,3S,6R)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H43N3O6S2/c1-17(2)13-21(26(33)34)30-25(32)23-22(35-15-18-9-7-6-8-10-18)12-11-19(36-23)14-29-24(31)20(28)16-37-38-27(3,4)5/h6-10,17,19-23H,11-16,28H2,1-5H3,(H,29,31)(H,30,32)(H,33,34)/t19-,20+,21+,22+,23+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50290253
PNG
(CHEMBL21986 | pentapotassium ({[(6E,10E,15E,19E)-2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)(P([O-])([O-])=O)P([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C32H57O8P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(43(38,39)40,41(33,34)25-42(35,36)37)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-25H2,1-8H3,(H,33,34)(H2,35,36,37)(H2,38,39,40)/p-5/b28-17+,29-18+,30-21+,31-22+
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n/an/a 2.33E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50122993
PNG
(CHEMBL2370452 | [(1R,18S,19R,20S)-14-(3-Guanidino-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@@H]2O[C@H](CNC1=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C24H40N8O10/c1-10(2)18-23(41)28-8-14-20(38)19(37)13(42-14)7-15(33)30-11(4-3-5-27-24(25)26)21(39)29-9-16(34)31-12(6-17(35)36)22(40)32-18/h10-14,18-20,37-38H,3-9H2,1-2H3,(H,28,41)(H,29,39)(H,30,33)(H,31,34)(H,32,40)(H,35,36)(H4,25,26,27)/t11-,12-,13-,14+,18-,19-,20+/m0/s1
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n/an/a 3.22E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-echistatin from alphaIIb-beta3 integrin of human platelets


Citation and Details
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50290251
PNG
(CHEMBL79827 | tripotassium 2,4,6-trioxo-3-[(2E,6E)...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C1P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C17H30O7P3/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-25(18,19)13-26(20,21)24-27(17,22)23/h7,9,12-13,16H,5-6,8,10-11H2,1-4H3,(H3-,18,19,20,21,22,23)/q-1/p-2/b15-9+,17-12?
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n/an/a 3.42E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150665
PNG
((S)-2-({(2S,3S,6S)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H41N3O6S3/c1-26(2,3)38-37-16-19(27)23(30)28-14-18-10-11-21(34-15-17-8-6-5-7-9-17)22(35-18)24(31)29-20(25(32)33)12-13-36-4/h5-9,18-22H,10-16,27H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50290251
PNG
(CHEMBL79827 | tripotassium 2,4,6-trioxo-3-[(2E,6E)...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C1P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C17H30O7P3/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-25(18,19)13-26(20,21)24-27(17,22)23/h7,9,12-13,16H,5-6,8,10-11H2,1-4H3,(H3-,18,19,20,21,22,23)/q-1/p-2/b15-9+,17-12?
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n/an/a 4.64E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150665
PNG
((S)-2-({(2S,3S,6S)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H41N3O6S3/c1-26(2,3)38-37-16-19(27)23(30)28-14-18-10-11-21(34-15-17-8-6-5-7-9-17)22(35-18)24(31)29-20(25(32)33)12-13-36-4/h5-9,18-22H,10-16,27H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50290250
PNG
(CHEMBL81657 | tripotassium 2,4,6-trioxo-3,3-bis[(2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C32H54O7P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(40(33,34)25-41(35,36)39-42(32,37)38)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22,25H,9-12,15-16,19-20,23-24H2,1-8H3,(H3-,33,34,35,36,37,38)/q-1/p-2/b28-17+,29-18+,30-21+,31-22+
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Squalene Synthase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50290250
PNG
(CHEMBL81657 | tripotassium 2,4,6-trioxo-3,3-bis[(2...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)P([O-])(=O)OP([O-])(=O)C=P1(O)[O-]
Show InChI InChI=1S/C32H54O7P3/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32(40(33,34)25-41(35,36)39-42(32,37)38)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22,25H,9-12,15-16,19-20,23-24H2,1-8H3,(H3-,33,34,35,36,37,38)/q-1/p-2/b28-17+,29-18+,30-21+,31-22+
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n/an/a 5.62E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Farnesyl Transferase


Bioorg Med Chem Lett 7: 2435-2440 (1997)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150662
PNG
((S)-2-({(2S,3S,6R)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H43N3O6S2/c1-17(2)13-21(26(33)34)30-25(32)23-22(35-15-18-9-7-6-8-10-18)12-11-19(36-23)14-29-24(31)20(28)16-37-38-27(3,4)5/h6-10,17,19-23H,11-16,28H2,1-5H3,(H,29,31)(H,30,32)(H,33,34)/t19-,20+,21+,22+,23+/m1/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150664
PNG
((S)-2-({(2S,3S,6S)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CS(=O)CC[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H41N3O7S3/c1-26(2,3)38-37-16-19(27)23(30)28-14-18-10-11-21(35-15-17-8-6-5-7-9-17)22(36-18)24(31)29-20(25(32)33)12-13-39(4)34/h5-9,18-22H,10-16,27H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)/t18-,19-,20-,21-,22-,39?/m0/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50122993
PNG
(CHEMBL2370452 | [(1R,18S,19R,20S)-14-(3-Guanidino-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@@H]2O[C@H](CNC1=O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C24H40N8O10/c1-10(2)18-23(41)28-8-14-20(38)19(37)13(42-14)7-15(33)30-11(4-3-5-27-24(25)26)21(39)29-9-16(34)31-12(6-17(35)36)22(40)32-18/h10-14,18-20,37-38H,3-9H2,1-2H3,(H,28,41)(H,29,39)(H,30,33)(H,31,34)(H,32,40)(H,35,36)(H4,25,26,27)/t11-,12-,13-,14+,18-,19-,20+/m0/s1
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n/an/a 9.81E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-echistatin from alphaV-beta3 integrin of human skin fibroblasts


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50122991
PNG
(CHEMBL113277 | [(1R,6S,7R,8S,9R,23S,24R,25S)-19-(3...)
Show SMILES NC(=N)NCCCC1NC(=O)C[C@@H]2O[C@H](CNC(=O)C[C@@H]3O[C@H](CNC(=O)C(CC(O)=O)NC(=O)CNC1=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O
Show InChI InChI=1S/C26H42N8O13/c27-26(28)29-3-1-2-10-24(44)32-9-18(37)34-11(4-19(38)39)25(45)31-8-15-23(43)20(40)12(46-15)5-16(35)30-7-14-22(42)21(41)13(47-14)6-17(36)33-10/h10-15,20-23,40-43H,1-9H2,(H,30,35)(H,31,45)(H,32,44)(H,33,36)(H,34,37)(H,38,39)(H4,27,28,29)/t10?,11?,12-,13-,14+,15+,20-,21-,22+,23+/m0/s1
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n/an/a 1.98E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-echistatin from alphaIIb-beta3 integrin of human platelets


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150663
PNG
((S)-2-({(2S,3S,6S)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H43N3O6S2/c1-17(2)13-21(26(33)34)30-25(32)23-22(35-15-18-9-7-6-8-10-18)12-11-19(36-23)14-29-24(31)20(28)16-37-38-27(3,4)5/h6-10,17,19-23H,11-16,28H2,1-5H3,(H,29,31)(H,30,32)(H,33,34)/t19-,20-,21-,22-,23-/m0/s1
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n/an/a 2.06E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150671
PNG
((S)-2-(1-{(2R,6R)-6-[((R)-2-Amino-3-tert-butyldisu...)
Show SMILES CC(C)C[C@H](N=C(C)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CCC1O)C(O)=O
Show InChI InChI=1S/C21H39N3O5S2/c1-12(2)9-16(20(27)28)24-13(3)18-17(25)8-7-14(29-18)10-23-19(26)15(22)11-30-31-21(4,5)6/h12,14-18,25H,7-11,22H2,1-6H3,(H,23,26)(H,27,28)/t14-,15+,16+,17?,18-/m1/s1
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n/an/a 2.61E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150669
PNG
((S)-2-(1-{(2R,3S,6S)-6-[((R)-2-Amino-3-tert-butyld...)
Show SMILES CC(C)C[C@H](N=C(C)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H45N3O5S2/c1-18(2)14-23(27(33)34)31-19(3)25-24(35-16-20-10-8-7-9-11-20)13-12-21(36-25)15-30-26(32)22(29)17-37-38-28(4,5)6/h7-11,18,21-25H,12-17,29H2,1-6H3,(H,30,32)(H,33,34)/t21-,22-,23-,24-,25+/m0/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150668
PNG
((S)-2-(1-{(2R,3S,6S)-6-[((R)-2-Amino-3-tert-butyld...)
Show SMILES CSCC[C@H](N=C(C)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H43N3O5S3/c1-18(30-22(26(32)33)13-14-36-5)24-23(34-16-19-9-7-6-8-10-19)12-11-20(35-24)15-29-25(31)21(28)17-37-38-27(2,3)4/h6-10,20-24H,11-17,28H2,1-5H3,(H,29,31)(H,32,33)/t20-,21-,22-,23-,24+/m0/s1
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n/an/a 3.11E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150663
PNG
((S)-2-({(2S,3S,6S)-6-[((R)-2-Amino-3-tert-butyldis...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H43N3O6S2/c1-17(2)13-21(26(33)34)30-25(32)23-22(35-15-18-9-7-6-8-10-18)12-11-19(36-23)14-29-24(31)20(28)16-37-38-27(3,4)5/h6-10,17,19-23H,11-16,28H2,1-5H3,(H,29,31)(H,30,32)(H,33,34)/t19-,20-,21-,22-,23-/m0/s1
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n/an/a 3.21E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50150670
PNG
((S)-2-(1-{(2R,3S,6R)-6-[((R)-2-Amino-3-tert-butyld...)
Show SMILES CC(C)C[C@H](N=C(C)[C@H]1O[C@@H](CNC(=O)[C@@H](N)CSSC(C)(C)C)CC[C@@H]1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H45N3O5S2/c1-18(2)14-23(27(33)34)31-19(3)25-24(35-16-20-10-8-7-9-11-20)13-12-21(36-25)15-30-26(32)22(29)17-37-38-28(4,5)6/h7-11,18,21-25H,12-17,29H2,1-6H3,(H,30,32)(H,33,34)/t21-,22+,23+,24+,25-/m1/s1
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n/an/a 4.64E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I


J Med Chem 47: 3920-3 (2004)

More data for this
Ligand-Target Pair
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