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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Squalene synthetase' AND taxid = 9913   
Target
(Institution)
LigandTarget
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
Squalene synthetase


(Bos taurus)
BDBM50059852
PNG
((S)-2-((S)-2-((S)-2-((R)-2-amino-3-mercaptopropyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C22H38N4O3S2/c1-15(2)20(24-12-17(23)14-30)13-25-19(11-16-7-5-4-6-8-16)21(27)26-18(22(28)29)9-10-31-3/h4-8,15,17-20,24-25,30H,9-14,23H2,1-3H3,(H,26,27)(H,28,29)/t17-,18+,19+,20-/m1/s1
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PubMed
n/an/a 21n/an/an/an/an/an/a



Cold Spring Harbor Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for concentration that caused 50% inhibition of bovine Farnesyltransferase


Bioorg Med Chem Lett 9: 847-52 (1999)

More data for this
Ligand-Target Pair
Squalene synthetase


(Bos taurus)
BDBM50076043
PNG
((S)-2-{[(3S,6S,9aS)-6-((S)-2-Amino-3-mercapto-prop...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N12)C(O)=O
Show InChI InChI=1S/C18H30N4O5S2/c1-29-8-7-13(18(26)27)21-16(24)14-6-5-10-3-2-4-12(17(25)22(10)14)20-15(23)11(19)9-28/h10-14,28H,2-9,19H2,1H3,(H,20,23)(H,21,24)(H,26,27)/t10-,11+,12-,13-,14-/m0/s1
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Cold Spring Harbor Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for concentration that caused 50% inhibition of bovine Farnesyltransferase


Bioorg Med Chem Lett 9: 847-52 (1999)

More data for this
Ligand-Target Pair
Squalene synthetase


(Bos taurus)
BDBM50076044
PNG
((S)-2-{[(3S,6R,8aR)-6-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CSCCC(NC(=O)[C@@H]1CC[C@@H]2CC[C@](Cc3ccccc3)(NC(=O)[C@@H](N)CS)C(=O)N12)C(O)=O
Show InChI InChI=1S/C24H34N4O5S2/c1-35-12-10-18(22(31)32)26-21(30)19-8-7-16-9-11-24(23(33)28(16)19,27-20(29)17(25)14-34)13-15-5-3-2-4-6-15/h2-6,16-19,34H,7-14,25H2,1H3,(H,26,30)(H,27,29)(H,31,32)/t16-,17+,18?,19+,24-/m1/s1
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Cold Spring Harbor Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for concentration that caused 50% inhibition of bovine Farnesyltransferase


Bioorg Med Chem Lett 9: 847-52 (1999)

More data for this
Ligand-Target Pair