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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Signal peptidase I' AND taxid = 83333   
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
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403541
PNG
(CHEMBL141679)
Show SMILES C[C@@H](OC(C)=O)[C@@H]1[C@@H]2SC=C(N2C1=O)C(=O)OCC=C
Show InChI InChI=1S/C13H15NO5S/c1-4-5-18-13(17)9-6-20-12-10(11(16)14(9)12)7(2)19-8(3)15/h4,6-7,10,12H,1,5H2,2-3H3/t7-,10+,12+/m1/s1
PDB
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Article
n/an/a 850n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403535
PNG
(CHEMBL138375)
Show SMILES C[C@@H](O)[C@@H]1[C@@H]2SC=C(N2C1=O)C(=O)OCC=C
Show InChI InChI=1S/C11H13NO4S/c1-3-4-16-11(15)7-5-17-10-8(6(2)13)9(14)12(7)10/h3,5-6,8,10,13H,1,4H2,2H3/t6-,8+,10+/m1/s1
PDB
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Article
n/an/a 920n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403528
PNG
(CHEMBL2111957)
Show SMILES CC(OC(C)=O)[C@@H]1[C@@H]2SC=C(N2C1=O)C(=O)OCC=C
Show InChI InChI=1S/C13H15NO5S/c1-4-5-18-13(17)9-6-20-12-10(11(16)14(9)12)7(2)19-8(3)15/h4,6-7,10,12H,1,5H2,2-3H3/t7?,10-,12-/m0/s1
PDB
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Article
n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403539
PNG
(CHEMBL140949)
Show SMILES O=C(OCc1ccccc1)C1=CS[C@H]2CC(=O)N12
Show InChI InChI=1S/C13H11NO3S/c15-11-6-12-14(11)10(8-18-12)13(16)17-7-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2/t12-/m0/s1
PDB
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Article
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403533
PNG
(CHEMBL137831)
Show SMILES COC(=O)c1ccc(COC(=O)C2=CSC3CC(=O)N23)cc1
Show InChI InChI=1S/C15H13NO5S/c1-20-14(18)10-4-2-9(3-5-10)7-21-15(19)11-8-22-13-6-12(17)16(11)13/h2-5,8,13H,6-7H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403536
PNG
(CHEMBL344810)
Show SMILES COC(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C7H7NO3S/c1-11-7(10)4-3-12-6-2-5(9)8(4)6/h3,6H,2H2,1H3
PDB
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Article
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403529
PNG
(CHEMBL343964)
Show SMILES COCOC(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C8H9NO4S/c1-12-4-13-8(11)5-3-14-7-2-6(10)9(5)7/h3,7H,2,4H2,1H3
PDB
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Article
n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403534
PNG
(CHEMBL342854)
Show SMILES COc1ccc(COC(=O)C2=CSC3CC(=O)N23)cc1
Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-9(3-5-10)7-19-14(17)11-8-20-13-6-12(16)15(11)13/h2-5,8,13H,6-7H2,1H3
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Article
n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403525
PNG
(CHEMBL138374)
Show SMILES COC(=O)c1cccc(COC(=O)C2=CSC3CC(=O)N23)c1
Show InChI InChI=1S/C15H13NO5S/c1-20-14(18)10-4-2-3-9(5-10)7-21-15(19)11-8-22-13-6-12(17)16(11)13/h2-5,8,13H,6-7H2,1H3
PDB
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Article
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403526
PNG
(CHEMBL139379)
Show SMILES C=CCOC(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C9H9NO3S/c1-2-3-13-9(12)6-5-14-8-4-7(11)10(6)8/h2,5,8H,1,3-4H2
PDB
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Article
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403537
PNG
(CHEMBL142116)
Show SMILES O=C(OCc1ccccc1)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C13H11NO3S/c15-11-6-12-14(11)10(8-18-12)13(16)17-7-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
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Article
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403538
PNG
(CHEMBL139027)
Show SMILES O=C(OCCCCc1ccccc1)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C16H17NO3S/c18-14-10-15-17(14)13(11-21-15)16(19)20-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2
PDB
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Article
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403542
PNG
(CHEMBL138537)
Show SMILES CC[C@@H]1[C@@H]2SC=C(N2C1=O)C(=O)OCC=C
Show InChI InChI=1S/C11H13NO3S/c1-3-5-15-11(14)8-6-16-10-7(4-2)9(13)12(8)10/h3,6-7,10H,1,4-5H2,2H3/t7-,10-/m0/s1
PDB
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Article
n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403543
PNG
(CHEMBL337318)
Show SMILES CCCCCOC(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C11H15NO3S/c1-2-3-4-5-15-11(14)8-7-16-10-6-9(13)12(8)10/h7,10H,2-6H2,1H3
PDB
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Article
n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403544
PNG
(CHEMBL337586)
Show SMILES [O-][N+](=O)c1ccc(COC(=O)C2=CSC3CC(=O)N23)cc1
Show InChI InChI=1S/C13H10N2O5S/c16-11-5-12-14(11)10(7-21-12)13(17)20-6-8-1-3-9(4-2-8)15(18)19/h1-4,7,12H,5-6H2
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n/an/a 5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403540
PNG
(CHEMBL138590)
Show SMILES CN(Cc1ccccc1)C(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C14H14N2O2S/c1-15(8-10-5-3-2-4-6-10)14(18)11-9-19-13-7-12(17)16(11)13/h2-6,9,13H,7-8H2,1H3
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Article
n/an/a 5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403545
PNG
(CHEMBL422640)
Show SMILES O=C(Nc1ccccc1)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C12H10N2O2S/c15-10-6-11-14(10)9(7-17-11)12(16)13-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H,13,16)
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Article
n/an/a 5.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403532
PNG
(CHEMBL345102)
Show SMILES CCN(CC)C(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C10H14N2O2S/c1-3-11(4-2)10(14)7-6-15-9-5-8(13)12(7)9/h6,9H,3-5H2,1-2H3
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n/an/a 5.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403530
PNG
(CHEMBL336666)
Show SMILES COc1ccc(NC(=O)C2=CSC3CC(=O)N23)cc1
Show InChI InChI=1S/C13H12N2O3S/c1-18-9-4-2-8(3-5-9)14-13(17)10-7-19-12-6-11(16)15(10)12/h2-5,7,12H,6H2,1H3,(H,14,17)
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Article
n/an/a 8.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403531
PNG
(CHEMBL141727)
Show SMILES O=C(N1CCOCC1)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C10H12N2O3S/c13-8-5-9-12(8)7(6-16-9)10(14)11-1-3-15-4-2-11/h6,9H,1-5H2
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n/an/a 1.15E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50403527
PNG
(CHEMBL141372)
Show SMILES [O-]C(=O)C1=CSC2CC(=O)N12
Show InChI InChI=1S/C6H5NO3S/c8-4-1-5-7(4)3(2-11-5)6(9)10/h2,5H,1H2,(H,9,10)/p-1
PDB
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n/an/a 6.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli leader peptidase using substrate A


Citation and Details
More data for this
Ligand-Target Pair