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Compile Data Set for Download or QSAR

Found 29 hits of ic50 for UniProtKB: P00803   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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 |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501358
PNG
(CHEMBL3947604)
Show SMILES [H][C@](NC(=O)[C@@H]1CC(CN)CN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([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 |r|
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
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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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501352
PNG
(CHEMBL3922978)
Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([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@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r|
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
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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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469159
PNG
(CHEMBL4283840)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501354
PNG
(CHEMBL3934222)
Show SMILES [H][C@](NC(=O)[C@@H]1CC(CN)CN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([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@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r|
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
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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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469154
PNG
(CHEMBL4283678)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469162
PNG
(CHEMBL4282733)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469165
PNG
(CHEMBL4291540)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1cncc(c1)C#CCCCCCC)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469170
PNG
(CHEMBL4291025)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCC)cc1)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501357
PNG
(CHEMBL3957297)
Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCC)([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@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r|
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
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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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
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 |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469169
PNG
(CHEMBL4292925)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccccc1)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469164
PNG
(CHEMBL4287199)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1 |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469160
PNG
(CHEMBL4280386)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469167
PNG
(CHEMBL4279276)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469161
PNG
(CHEMBL4290610)
Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501351
PNG
(CHEMBL3924425)
Show SMILES [H][C@](NC(=O)[C@H](CCN)NC(=O)c1ccc(cc1)-c1ccc(CCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r|
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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469163
PNG
(CHEMBL4282334)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50480585
PNG
(CHEMBL555725)
Show SMILES [H][C@@]12SC=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |r,c:3|
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)


Article DOI: 10.1016/j.bmcl.2009.04.034
BindingDB Entry DOI: 10.7270/Q2B27Z2J
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469168
PNG
(CHEMBL4281328)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc2[nH]cc(-c3ccc(CCCCCC)cc3)c2c1)[C@@H](C)O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469156
PNG
(CHEMBL4291944)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)C#Cc1ccc(cc1)-c1ccccc1)[C@@H](C)O |r|
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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501353
PNG
(CHEMBL3895001)
Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([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 |r|
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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469158
PNG
(CHEMBL4280228)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(=O)n(c1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
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 |r|
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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50469155
PNG
(CHEMBL4288133)
Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(=O)n(c1)-c1ccccc1)[C@@H](C)O |r|
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)


Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1
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 |r|
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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2009.03.064
BindingDB Entry DOI: 10.7270/Q2V40Z0B
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 |r|
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
PDB
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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)


Article DOI: 10.1016/j.bmcl.2009.03.064
BindingDB Entry DOI: 10.7270/Q2V40Z0B
More data for this
Ligand-Target Pair
Signal peptidase I


(Escherichia coli (strain K12))		BDBM50501355
PNG
(CHEMBL3952118)
Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1)([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@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
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PubMed
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)


Article DOI: 10.1016/j.bmc.2016.12.003
BindingDB Entry DOI: 10.7270/Q20P1321
More data for this
Ligand-Target Pair