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Compile Data Set for Download or QSAR

Found 50 hits of ic50 data for polymerid = 50000608   
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
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469157
PNG
(CHEMBL4284736)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CC(CN)C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O
Show InChI InChI=1S/C38H56BN7O9/c1-5-6-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)38(53)46-21-26(20-40)18-31(46)36(51)45-33(23(3)47)37(52)42-22(2)34(49)44-30(19-32(41)48)35(50)43-24(4)39(54)55/h10-17,22-24,26,30-31,33,47,54-55H,5-9,18-21,40H2,1-4H3,(H2,41,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)/t22-,23+,24-,26?,30-,31-,33-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
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n/an/a 6n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501358
PNG
(CHEMBL3947604)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CC(CN)C[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O
Show InChI InChI=1S/C38H56BN7O9/c1-5-6-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)38(53)46-21-26(20-40)18-31(46)36(51)45-33(23(3)47)37(52)42-22(2)34(49)44-30(19-32(41)48)35(50)43-24(4)39(54)55/h10-17,22-24,26,30-31,33,47,54-55H,5-9,18-21,40H2,1-4H3,(H2,41,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)/t22-,23-,24-,26?,30-,31-,33-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501352
PNG
(CHEMBL3922978)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C47H67BN6O9/c1-8-9-10-11-13-30-15-17-31(18-16-30)32-19-21-33(22-20-32)45(61)54-23-12-14-36(54)43(59)53-40(28(3)55)44(60)50-27(2)41(57)52-35(26-39(49)56)42(58)51-29(4)48-62-38-25-34-24-37(46(34,5)6)47(38,7)63-48/h15-22,27-29,34-38,40,55H,8-14,23-26H2,1-7H3,(H2,49,56)(H,50,60)(H,51,58)(H,52,57)(H,53,59)/t27-,28-,29-,34-,35-,36-,37-,38+,40-,47-/m0/s1
PDB
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KEGG

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n/an/a 12n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469159
PNG
(CHEMBL4283840)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C47H70BN7O9/c1-8-9-10-11-13-30-15-17-31(18-16-30)32-19-21-33(22-20-32)42(59)53-35(14-12-23-49)43(60)55-40(28(3)56)45(62)51-27(2)41(58)54-36(26-39(50)57)44(61)52-29(4)48-63-38-25-34-24-37(46(34,5)6)47(38,7)64-48/h15-22,27-29,34-38,40,56H,8-14,23-26,49H2,1-7H3,(H2,50,57)(H,51,62)(H,52,61)(H,53,59)(H,54,58)(H,55,60)/t27-,28+,29-,34-,35-,36-,37-,38?,40-,47-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 17n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501354
PNG
(CHEMBL3934222)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CC(CN)C[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C48H70BN7O9/c1-8-9-10-11-12-30-13-15-32(16-14-30)33-17-19-34(20-18-33)46(63)56-26-31(25-50)21-37(56)44(61)55-41(28(3)57)45(62)52-27(2)42(59)54-36(24-40(51)58)43(60)53-29(4)49-64-39-23-35-22-38(47(35,5)6)48(39,7)65-49/h13-20,27-29,31,35-39,41,57H,8-12,21-26,50H2,1-7H3,(H2,51,58)(H,52,62)(H,53,60)(H,54,59)(H,55,61)/t27-,28-,29-,31?,35-,36-,37-,38-,39+,41-,48-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem
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n/an/a 18n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469154
PNG
(CHEMBL4283678)
Show SMILES CCCCCCc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1/C46H64BN11O9/c1-5-6-7-8-10-29-12-14-30(15-13-29)41-51-34-17-16-31(21-36(34)52-41)43(61)53-35(11-9-18-48)44(62)55-40(27(3)59)46(64)49-26(2)42(60)54-37-22-32-25-58(57-56-32)19-20-65-33-23-38-39(24-33)67-47(66-38)28(4)50-45(37)63/h12-17,21,25-28,33,35,37-40,59H,5-11,18-20,22-24,48H2,1-4H3,(H,49,64)(H,50,63)(H,51,52)(H,53,61)(H,54,60)(H,55,62)/t26-,27+,28-,33-,35-,37-,38+,39-,40-/s2
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
UniChem
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n/an/a 29n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469162
PNG
(CHEMBL4282733)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C46H67BN12O8/c1-5-6-7-8-11-31-13-15-32(16-14-31)33-17-19-34(20-18-33)42(62)53-36(12-9-21-50-46(48)49)43(63)55-40(29(3)60)45(65)51-28(2)41(61)54-37-24-35-25-59(57-56-35)23-10-22-58-26-38-39(27-58)67-47(66-38)30(4)52-44(37)64/h13-20,25,28-30,36-40,60H,5-12,21-24,26-27H2,1-4H3,(H,51,65)(H,52,64)(H,53,62)(H,54,61)(H,55,63)(H4,48,49,50)/t28-,29+,30-,36-,37-,38-,39+,40-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 41n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469165
PNG
(CHEMBL4291540)
Show SMILES CCCCCCC#Cc1cncc(c1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C40H59BN10O9/c1-5-6-7-8-9-10-12-27-17-28(22-43-21-27)37(54)46-31(13-11-14-42)38(55)48-35(25(3)52)40(57)44-24(2)36(53)47-32-18-29-23-51(50-49-29)15-16-58-30-19-33-34(20-30)60-41(59-33)26(4)45-39(32)56/h17,21-26,30-35,52H,5-9,11,13-16,18-20,42H2,1-4H3,(H,44,57)(H,45,56)(H,46,54)(H,47,53)(H,48,55)/t24-,25+,26-,30-,31-,32-,33+,34-,35-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
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n/an/a 41n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469170
PNG
(CHEMBL4291025)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C43H61BN10O8/c1-5-6-9-29-11-13-30(14-12-29)31-15-17-32(18-16-31)40(57)48-34(10-7-19-45)41(58)50-38(27(3)55)43(60)46-26(2)39(56)49-35-22-33-23-54(52-51-33)21-8-20-53-24-36-37(25-53)62-44(61-36)28(4)47-42(35)59/h11-18,23,26-28,34-38,55H,5-10,19-22,24-25,45H2,1-4H3,(H,46,60)(H,47,59)(H,48,57)(H,49,56)(H,50,58)/t26-,27+,28-,34-,35-,36-,37+,38-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 42n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501357
PNG
(CHEMBL3957297)
Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C38H65BN6O9/c1-8-9-10-11-12-13-14-17-31(48)45-18-15-16-27(45)35(51)44-32(23(3)46)36(52)41-22(2)33(49)43-26(21-30(40)47)34(50)42-24(4)39-53-29-20-25-19-28(37(25,5)6)38(29,7)54-39/h22-29,32,46H,8-21H2,1-7H3,(H2,40,47)(H,41,52)(H,42,50)(H,43,49)(H,44,51)/t22-,23-,24-,25-,26-,27-,28-,29+,32-,38-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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n/an/a 48n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469166
PNG
(CHEMBL4294422)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O
Show InChI InChI=1S/C37H56BN7O9/c1-5-6-7-8-10-25-12-14-26(15-13-25)27-16-18-28(19-17-27)34(49)43-29(11-9-20-39)35(50)45-32(23(3)46)37(52)41-22(2)33(48)44-30(21-31(40)47)36(51)42-24(4)38(53)54/h12-19,22-24,29-30,32,46,53-54H,5-11,20-21,39H2,1-4H3,(H2,40,47)(H,41,52)(H,42,51)(H,43,49)(H,44,48)(H,45,50)/t22-,23+,24-,29-,30-,32-/m0/s1
PDB
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n/an/a 52n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469169
PNG
(CHEMBL4292925)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C39H52BN9O9/c1-22(35(51)45-31-18-28-21-49(48-47-28)16-17-56-29-19-32-33(20-29)58-40(57-32)24(3)43-38(31)54)42-39(55)34(23(2)50)46-37(53)30(10-7-15-41)44-36(52)27-13-11-26(12-14-27)25-8-5-4-6-9-25/h4-6,8-9,11-14,21-24,29-34,50H,7,10,15-20,41H2,1-3H3,(H,42,55)(H,43,54)(H,44,52)(H,45,51)(H,46,53)/t22-,23+,24-,29-,30-,31-,32+,33-,34-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 72n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469164
PNG
(CHEMBL4287199)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C46H67BN10O8/c1-6-7-8-9-12-32-14-16-33(17-15-32)34-18-20-35(21-19-34)43(60)51-37(13-10-22-48)46(63)55(5)41(30(3)58)45(62)49-29(2)42(59)52-38-25-36-26-57(54-53-36)24-11-23-56-27-39-40(28-56)65-47(64-39)31(4)50-44(38)61/h14-21,26,29-31,37-41,58H,6-13,22-25,27-28,48H2,1-5H3,(H,49,62)(H,50,61)(H,51,60)(H,52,59)/t29-,30+,31-,37-,38-,39-,40+,41-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
UniChem
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n/an/a 98n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469160
PNG
(CHEMBL4280386)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C44H63BN10O8/c1-5-6-7-8-10-30-12-14-31(15-13-30)32-16-18-33(19-17-32)41(58)49-35(11-9-20-46)42(59)51-39(28(3)56)44(61)47-27(2)40(57)50-36-23-34-24-55(53-52-34)22-21-54-25-37-38(26-54)63-45(62-37)29(4)48-43(36)60/h12-19,24,27-29,35-39,56H,5-11,20-23,25-26,46H2,1-4H3,(H,47,61)(H,48,60)(H,49,58)(H,50,57)(H,51,59)/t27-,28+,29-,35-,36-,37-,38+,39-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
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n/an/a 104n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469167
PNG
(CHEMBL4279276)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C45H65BN10O8/c1-5-6-7-8-11-31-13-15-32(16-14-31)33-17-19-34(20-18-33)42(59)50-36(12-9-21-47)43(60)52-40(29(3)57)45(62)48-28(2)41(58)51-37-24-35-25-56(54-53-35)23-10-22-55-26-38-39(27-55)64-46(63-38)30(4)49-44(37)61/h13-20,25,28-30,36-40,57H,5-12,21-24,26-27,47H2,1-4H3,(H,48,62)(H,49,61)(H,50,59)(H,51,58)(H,52,60)/t28-,29+,30-,36-,37-,38-,39+,40-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469161
PNG
(CHEMBL4290610)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCCN3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1/C46H62BN11O8/c1-5-6-7-8-10-31-11-13-32(14-12-31)33-15-17-34(18-16-33)43(61)53-37(21-35-23-48-27-49-35)45(63)54-41(29(3)59)46(64)50-28(2)42(60)52-38-22-36-24-58(56-55-36)20-9-19-57-25-39-40(26-57)66-47(65-39)30(4)51-44(38)62/h11-18,23-24,27-30,37-41,59H,5-10,19-22,25-26H2,1-4H3,(H,48,49)(H,50,64)(H,51,62)(H,52,60)(H,53,61)(H,54,63)/t28-,29+,30-,37-,38-,39-,40+,41-/s2
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n/an/a 107n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501351
PNG
(CHEMBL3924425)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C46H70BN7O8/c1-8-9-12-30-14-16-31(17-15-30)32-18-20-33(21-19-32)41(57)53-36(22-24-49)43(59)54-39(28(3)55)44(60)50-27(2)40(56)52-35(13-10-11-23-48)42(58)51-29(4)47-61-38-26-34-25-37(45(34,5)6)46(38,7)62-47/h14-21,27-29,34-39,55H,8-13,22-26,48-49H2,1-7H3,(H,50,60)(H,51,58)(H,52,56)(H,53,57)(H,54,59)/t27-,28-,29-,34-,35-,36-,37-,38+,39-,46-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469163
PNG
(CHEMBL4282334)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C45H64BN9O9/c1-5-6-7-8-10-30-12-14-31(15-13-30)32-16-18-33(19-17-32)42(58)50-36(11-9-20-47)43(59)52-40(28(3)56)45(61)48-27(2)41(57)51-37-23-34-26-55(54-53-34)21-22-62-35-24-38-39(25-35)64-46(63-38)29(4)49-44(37)60/h12-19,26-29,35-40,56H,5-11,20-25,47H2,1-4H3,(H,48,61)(H,49,60)(H,50,58)(H,51,57)(H,52,59)/t27-,28+,29-,35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50480585
PNG
(CHEMBL555725)
Show SMILES C[C@@H](O)[C@@H]1[C@@H]2SC=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C8H9NO4S/c1-3(10)5-6(11)9-4(8(12)13)2-14-7(5)9/h2-3,5,7,10H,1H3,(H,12,13)/t3-,5+,7+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli signal peptidase


Bioorg Med Chem Lett 19: 3787-90 (2009)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469168
PNG
(CHEMBL4281328)
Show SMILES CCCCCCc1ccc(cc1)-c1c[nH]c2ccc(cc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1/C47H65BN10O9/c1-5-6-7-8-10-30-12-14-31(15-13-30)36-25-50-37-17-16-32(21-35(36)37)44(61)53-38(11-9-18-49)45(62)55-42(28(3)59)47(64)51-27(2)43(60)54-39-22-33-26-58(57-56-33)19-20-65-34-23-40-41(24-34)67-48(66-40)29(4)52-46(39)63/h12-17,21,25-29,34,38-42,50,59H,5-11,18-20,22-24,49H2,1-4H3,(H,51,64)(H,52,63)(H,53,61)(H,54,60)(H,55,62)/t27-,28+,29-,34-,38-,39-,40+,41-,42-/s2
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n/an/a 225n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469156
PNG
(CHEMBL4291944)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCN)NC(=O)C#Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C41H52BN9O9/c1-24(38(54)47-33-20-30-23-51(50-49-30)18-19-58-31-21-34-35(22-31)60-42(59-34)26(3)45-40(33)56)44-41(57)37(25(2)52)48-39(55)32(10-7-17-43)46-36(53)16-13-27-11-14-29(15-12-27)28-8-5-4-6-9-28/h4-6,8-9,11-12,14-15,23-26,31-35,37,52H,7,10,17-22,43H2,1-3H3,(H,44,57)(H,45,56)(H,46,53)(H,47,54)(H,48,55)/t24-,25+,26-,31-,32-,33-,34+,35-,37-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501353
PNG
(CHEMBL3895001)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O
Show InChI InChI=1S/C37H53BN6O9/c1-5-6-7-8-10-25-12-14-26(15-13-25)27-16-18-28(19-17-27)37(51)44-20-9-11-30(44)35(49)43-32(23(3)45)36(50)40-22(2)33(47)42-29(21-31(39)46)34(48)41-24(4)38(52)53/h12-19,22-24,29-30,32,45,52-53H,5-11,20-21H2,1-4H3,(H2,39,46)(H,40,50)(H,41,48)(H,42,47)(H,43,49)/t22-,23-,24-,29-,30-,32-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469158
PNG
(CHEMBL4280228)
Show SMILES CCCCCCc1ccc(cc1)-n1cc(ccc1=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C44H63BN10O10/c1-5-6-7-8-10-29-12-15-32(16-13-29)55-24-30(14-17-38(55)57)41(59)49-34(11-9-18-46)42(60)51-39(27(3)56)44(62)47-26(2)40(58)50-35-21-31-25-54(53-52-31)19-20-63-33-22-36-37(23-33)65-45(64-36)28(4)48-43(35)61/h12-17,24-28,33-37,39,56H,5-11,18-23,46H2,1-4H3,(H,47,62)(H,48,61)(H,49,59)(H,50,58)(H,51,60)/t26-,27+,28-,33-,34-,35-,36+,37-,39-/m0/s1
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n/an/a 495n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

More data for this
Ligand-Target Pair
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
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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
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n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501356
PNG
(CHEMBL2306366)
Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20-,21-,22-,25-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50469155
PNG
(CHEMBL4288133)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(=O)n(c1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1Cc2cn(CCO[C@H]3C[C@H]4OB(O[C@H]4C3)[C@H](C)NC1=O)nn2
Show InChI InChI=1S/C38H51BN10O10/c1-21(34(52)44-29-16-25-20-48(47-46-25)14-15-57-27-17-30-31(18-27)59-39(58-30)23(3)42-37(29)55)41-38(56)33(22(2)50)45-36(54)28(10-7-13-40)43-35(53)24-11-12-32(51)49(19-24)26-8-5-4-6-9-26/h4-6,8-9,11-12,19-23,27-31,33,50H,7,10,13-18,40H2,1-3H3,(H,41,56)(H,42,55)(H,43,53)(H,44,52)(H,45,54)/t21-,22+,23-,27-,28-,29-,30+,31-,33-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi...


Eur J Med Chem 157: 1346-1360 (2018)

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
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/C7H7NO3S/c1-11-7(10)4-3-12-6-2-5(9)8(4)6/h3,6H,2H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/C8H9NO4S/c1-12-4-13-8(11)5-3-14-7-2-6(10)9(5)7/h3,7H,2,4H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501356
PNG
(CHEMBL2306366)
Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20-,21-,22-,25-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

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=1/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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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/C9H9NO3S/c1-2-3-13-9(12)6-5-14-8-4-7(11)10(6)8/h2,5,8H,1,3-4H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50480486
PNG
(CHEMBL539137)
Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20+,21-,22-,25-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type I signal peptidase lepB


Bioorg Med Chem Lett 19: 2880-3 (2009)

More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50480486
PNG
(CHEMBL539137)
Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20+,21-,22-,25-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli type I signal peptidase lepB


Bioorg Med Chem Lett 19: 2880-3 (2009)

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
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/C11H15NO3S/c1-2-3-4-5-15-11(14)8-7-16-10-6-9(13)12(8)10/h7,10H,2-6H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))
BDBM50501355
PNG
(CHEMBL3952118)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C28H47BN6O8/c1-13(32-26(41)22(14(2)36)35-24(39)17-8-7-9-31-17)23(38)34-18(12-21(30)37)25(40)33-15(3)29-42-20-11-16-10-19(27(16,4)5)28(20,6)43-29/h13-20,22,31,36H,7-12H2,1-6H3,(H2,30,37)(H,32,41)(H,33,40)(H,34,38)(H,35,39)/t13-,14-,15-,16-,17-,18-,19-,20+,22-,28-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...


Bioorg Med Chem 25: 897-911 (2017)

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=1/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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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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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n/an/a 5.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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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n/an/a 8.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
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=1/C6H5NO3S/c8-4-1-5-7(4)3(2-11-5)6(9)10/h2,5H,1H2,(H,9,10)/p-1
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n/an/a 6.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 443-448 (1995)


Article DOI: 10.1016/0960-894X(95)00052-U
BindingDB Entry DOI: 10.7270/Q2W66MZ1
More data for this
Ligand-Target Pair