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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'IgA protease' AND taxid = 485   
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
IgA protease


(Neisseria gonorrhoeae)
BDBM50016716
PNG
(Acetylprolylprolylthreonylprolinamide(AcPPTPNH2) |...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H33N5O6/c1-12(27)17(21(32)25-10-3-6-14(25)18(22)29)23-19(30)15-7-4-11-26(15)20(31)16-8-5-9-24(16)13(2)28/h12,14-17,27H,3-11H2,1-2H3,(H2,22,29)(H,23,30)/t12-,14+,15+,16-,17+/m1/s1
KEGG

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n/an/a>1.00E+3n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016709
PNG
(2-({1-[1-(2-Acetylamino-3-hydroxy-butyryl)-pyrroli...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C20H32N4O8/c1-10(25)15(21-12(3)27)19(30)24-9-5-7-14(24)18(29)23-8-4-6-13(23)17(28)22-16(11(2)26)20(31)32/h10-11,13-16,25-26H,4-9H2,1-3H3,(H,21,27)(H,22,28)(H,31,32)/t10-,11-,13-,14+,15+,16+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016729
PNG
(1-[1-(2-Acetylamino-3-hydroxy-butyryl)-pyrrolidine...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C20H33N5O7/c1-10(26)15(17(21)29)23-18(30)13-6-4-8-24(13)19(31)14-7-5-9-25(14)20(32)16(11(2)27)22-12(3)28/h10-11,13-16,26-27H,4-9H2,1-3H3,(H2,21,29)(H,22,28)(H,23,30)/t10-,11-,13-,14+,15+,16+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016727
PNG
(1-(2-{[1-(1-Acetyl-pyrrolidine-2-carbonyl)-pyrroli...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H32N4O7/c1-12(26)17(20(30)25-11-5-8-16(25)21(31)32)22-18(28)14-6-3-10-24(14)19(29)15-7-4-9-23(15)13(2)27/h12,14-17,26H,3-11H2,1-2H3,(H,22,28)(H,31,32)/t12-,14+,15-,16+,17+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016712
PNG
(1-{3-Hydroxy-2-[(pyrrolidine-2-carbonyl)-amino]-bu...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H29N5O6/c1-9(24)13(21-15(26)10-4-2-6-19-10)17(28)22-7-3-5-12(22)16(27)20-11(8-23)14(18)25/h9-13,19,23-24H,2-8H2,1H3,(H2,18,25)(H,20,27)(H,21,26)/t9-,10-,11+,12-,13+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016710
PNG
(1-{1-[2-(2-Acetylamino-3-hydroxy-propionylamino)-3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H30N4O8/c1-10(25)15(21-16(27)12(9-24)20-11(2)26)18(29)22-7-3-5-13(22)17(28)23-8-4-6-14(23)19(30)31/h10,12-15,24-25H,3-9H2,1-2H3,(H,20,26)(H,21,27)(H,30,31)/t10-,12+,13-,14+,15+/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016724
PNG
(2-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C19H30N4O8/c1-10(25)15(21-17(28)13-5-3-7-22(13)11(2)26)18(29)23-8-4-6-14(23)16(27)20-12(9-24)19(30)31/h10,12-15,24-25H,3-9H2,1-2H3,(H,20,27)(H,21,28)(H,30,31)/t10-,12+,13-,14-,15+/m1/s1
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n/an/a 2.38E+4n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016714
PNG
(1-(3-Hydroxy-2-{[1-(pyrrolidine-2-carbonyl)-pyrrol...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H30N4O6/c1-11(24)15(18(27)23-10-4-7-14(23)19(28)29)21-16(25)13-6-3-9-22(13)17(26)12-5-2-8-20-12/h11-15,20,24H,2-10H2,1H3,(H,21,25)(H,28,29)/t11-,12-,13+,14+,15+/m1/s1
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n/an/a 4.05E+4n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367751
PNG
(CHEMBL2369563)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)31(52)40-22(17-58)33(54)42-12-4-8-23(42)30(51)39-21(16-46)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016717
PNG
(1-{1-[2-(2-Amino-3-hydroxy-propionylamino)-3-hydro...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H28N4O7/c1-9(23)13(19-14(24)10(18)8-22)16(26)20-6-2-4-11(20)15(25)21-7-3-5-12(21)17(27)28/h9-13,22-23H,2-8,18H2,1H3,(H,19,24)(H,27,28)/t9-,10+,11-,12+,13+/m1/s1
KEGG

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n/an/a 7.30E+4n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367756
PNG
(CHEMBL2369562)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C35H55N9O12S/c1-18(47)27(40-31(52)25-9-4-12-42(25)34(55)26-10-6-14-44(26)33(54)22(17-57)37-19(2)48)35(56)43-13-5-8-24(43)30(51)39-21(16-46)32(53)41-11-3-7-23(41)29(50)38-20(15-45)28(36)49/h18,20-27,45-47,57H,3-17H2,1-2H3,(H2,36,49)(H,37,48)(H,38,50)(H,39,51)(H,40,52)/t18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
KEGG

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n/an/a 1.20E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367756
PNG
(CHEMBL2369562)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C35H55N9O12S/c1-18(47)27(40-31(52)25-9-4-12-42(25)34(55)26-10-6-14-44(26)33(54)22(17-57)37-19(2)48)35(56)43-13-5-8-24(43)30(51)39-21(16-46)32(53)41-11-3-7-23(41)29(50)38-20(15-45)28(36)49/h18,20-27,45-47,57H,3-17H2,1-2H3,(H2,36,49)(H,37,48)(H,38,50)(H,39,51)(H,40,52)/t18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
KEGG

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n/an/a 1.20E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367753
PNG
(CHEMBL2369569)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H55N9O12/c1-17(46)25(35)33(54)43-14-6-10-24(43)32(53)41-12-4-9-23(41)30(51)39-26(18(2)47)34(55)42-13-5-8-22(42)29(50)38-20(16-45)31(52)40-11-3-7-21(40)28(49)37-19(15-44)27(36)48/h17-26,44-47H,3-16,35H2,1-2H3,(H2,36,48)(H,37,49)(H,38,50)(H,39,51)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367753
PNG
(CHEMBL2369569)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H55N9O12/c1-17(46)25(35)33(54)43-14-6-10-24(43)32(53)41-12-4-9-23(41)30(51)39-26(18(2)47)34(55)42-13-5-8-22(42)29(50)38-20(16-45)31(52)40-11-3-7-21(40)28(49)37-19(15-44)27(36)48/h17-26,44-47H,3-16,35H2,1-2H3,(H2,36,48)(H,37,49)(H,38,50)(H,39,51)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1
KEGG

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n/an/a 1.80E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016719
PNG
(1-(2-{[1-(2-Acetylamino-3-hydroxy-butyryl)-pyrroli...)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H30N4O8/c1-10(25)15(20-11(2)26)18(29)22-7-3-5-13(22)16(27)21-12(9-24)17(28)23-8-4-6-14(23)19(30)31/h10,12-15,24-25H,3-9H2,1-2H3,(H,20,26)(H,21,27)(H,30,31)/t10-,12+,13+,14+,15+/m1/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367755
PNG
(CHEMBL2369567)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(73-37(3)95)69(111)87-27-11-19-51(87)67(109)85-25-9-17-49(85)61(103)79-43(65(107)83-23-7-15-47(83)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)33-113-114-34-44(80-62(104)50-18-10-26-86(50)68(110)52-20-12-28-88(52)70(112)54(36(2)94)74-38(4)96)66(108)84-24-8-16-48(84)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
KEGG

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n/an/a 2.00E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase in 40% TFE


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367751
PNG
(CHEMBL2369563)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)31(52)40-22(17-58)33(54)42-12-4-8-23(42)30(51)39-21(16-46)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367755
PNG
(CHEMBL2369567)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(73-37(3)95)69(111)87-27-11-19-51(87)67(109)85-25-9-17-49(85)61(103)79-43(65(107)83-23-7-15-47(83)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)33-113-114-34-44(80-62(104)50-18-10-26-86(50)68(110)52-20-12-28-88(52)70(112)54(36(2)94)74-38(4)96)66(108)84-24-8-16-48(84)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase in 40% TFE


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367758
PNG
(CHEMBL2369564)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C67H106N16O24/c1-33(88)49(68)63(102)82-27-11-19-46(82)61(100)78-23-7-17-44(78)58(97)74-51(35(3)90)64(103)80-25-9-15-42(80)56(95)70-38(30-85)60(99)77-22-6-14-41(77)55(94)69-37(29-84)53(92)73-50(34(2)89)66(105)83-28-12-20-47(83)62(101)79-24-8-18-45(79)59(98)75-52(36(4)91)65(104)81-26-10-16-43(81)57(96)72-48(32-87)76-21-5-13-40(76)54(93)71-39(31-86)67(106)107/h33-52,84-91H,5-32,68H2,1-4H3,(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,98)(H,106,107)/t33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-,49+,50+,51+,52+/m1/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016711
PNG
(1-[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2-car...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11-,12+,13+,14+/m1/s1
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n/an/a 4.19E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367750
PNG
(CHEMBL2369561)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)30(51)39-21(16-46)33(54)42-12-4-8-23(42)31(52)40-22(17-58)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 4.90E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367750
PNG
(CHEMBL2369561)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)30(51)39-21(16-46)33(54)42-12-4-8-23(42)31(52)40-22(17-58)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 4.90E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367754
PNG
(CHEMBL2369558)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C34H54N8O13/c1-17(45)25(35)32(52)42-14-6-10-24(42)31(51)40-12-4-9-23(40)29(49)38-26(18(2)46)33(53)41-13-5-8-22(41)27(47)36-19(15-43)30(50)39-11-3-7-21(39)28(48)37-20(16-44)34(54)55/h17-26,43-46H,3-16,35H2,1-2H3,(H,36,47)(H,37,48)(H,38,49)(H,54,55)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367754
PNG
(CHEMBL2369558)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C34H54N8O13/c1-17(45)25(35)32(52)42-14-6-10-24(42)31(51)40-12-4-9-23(40)29(49)38-26(18(2)46)33(53)41-13-5-8-22(41)27(47)36-19(15-43)30(50)39-11-3-7-21(39)28(48)37-20(16-44)34(54)55/h17-26,43-46H,3-16,35H2,1-2H3,(H,36,47)(H,37,48)(H,38,49)(H,54,55)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367757
PNG
(CHEMBL2369560)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C36H56N8O14/c1-18(47)27(37-20(3)49)34(55)44-15-7-11-26(44)33(54)42-13-5-10-25(42)31(52)40-28(19(2)48)35(56)43-14-6-9-24(43)29(50)38-21(16-45)32(53)41-12-4-8-23(41)30(51)39-22(17-46)36(57)58/h18-19,21-28,45-48H,4-17H2,1-3H3,(H,37,49)(H,38,50)(H,39,51)(H,40,52)(H,57,58)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 5.10E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367757
PNG
(CHEMBL2369560)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C36H56N8O14/c1-18(47)27(37-20(3)49)34(55)44-15-7-11-26(44)33(54)42-13-5-10-25(42)31(52)40-28(19(2)48)35(56)43-14-6-9-24(43)29(50)38-21(16-45)32(53)41-12-4-8-23(41)30(51)39-22(17-46)36(57)58/h18-19,21-28,45-48H,4-17H2,1-3H3,(H,37,49)(H,38,50)(H,39,51)(H,40,52)(H,57,58)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 5.10E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016725
PNG
(2-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C18H28N4O8/c1-10(25)21-6-2-4-13(21)15(26)19-11(8-23)17(28)22-7-3-5-14(22)16(27)20-12(9-24)18(29)30/h11-14,23-24H,2-9H2,1H3,(H,19,26)(H,20,27)(H,29,30)/t11-,12-,13+,14+/m0/s1
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n/an/a 6.75E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016732
PNG
(Acetylthreonylprolylserylprolinamide(AcTPSPNH2) | ...)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C19H31N5O7/c1-10(26)15(21-11(2)27)19(31)24-8-4-6-14(24)17(29)22-12(9-25)18(30)23-7-3-5-13(23)16(20)28/h10,12-15,25-26H,3-9H2,1-2H3,(H2,20,28)(H,21,27)(H,22,29)/t10-,12+,13+,14+,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016730
PNG
(2-({1-[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C18H30N4O7/c1-9(23)13(19)17(27)22-8-4-6-12(22)16(26)21-7-3-5-11(21)15(25)20-14(10(2)24)18(28)29/h9-14,23-24H,3-8,19H2,1-2H3,(H,20,25)(H,28,29)/t9-,10-,11-,12+,13+,14+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016726
PNG
(1-{1-[2-(2-Acetylamino-3-hydroxy-propionylamino)-3...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C19H31N5O7/c1-10(26)15(22-17(29)12(9-25)21-11(2)27)19(31)24-8-4-6-14(24)18(30)23-7-3-5-13(23)16(20)28/h10,12-15,25-26H,3-9H2,1-2H3,(H2,20,28)(H,21,27)(H,22,29)/t10-,12+,13+,14-,15+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016728
PNG
(CHEMBL420584 | Prolylprolylthreonylprolinamide(PPT...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C19H31N5O5/c1-11(25)15(19(29)23-9-3-6-13(23)16(20)26)22-17(27)14-7-4-10-24(14)18(28)12-5-2-8-21-12/h11-15,21,25H,2-10H2,1H3,(H2,20,26)(H,22,27)/t11-,12-,13+,14+,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016723
PNG
(CHEMBL310908 | Threonylprolylserylprolinamide(TPSP...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C17H29N5O6/c1-9(24)13(18)17(28)22-7-3-5-12(22)15(26)20-10(8-23)16(27)21-6-2-4-11(21)14(19)25/h9-13,23-24H,2-8,18H2,1H3,(H2,19,25)(H,20,26)/t9-,10+,11+,12+,13+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016722
PNG
(1-{1-[2-(2-Amino-3-hydroxy-propionylamino)-3-hydro...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C17H29N5O6/c1-9(24)13(20-15(26)10(18)8-23)17(28)22-7-3-5-12(22)16(27)21-6-2-4-11(21)14(19)25/h9-13,23-24H,2-8,18H2,1H3,(H2,19,25)(H,20,26)/t9-,10+,11+,12-,13+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016721
PNG
(Acetylprolylthreonylprolylserinamide(AcPTPSNH2) | ...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C19H31N5O7/c1-10(26)15(22-18(30)13-5-3-7-23(13)11(2)27)19(31)24-8-4-6-14(24)17(29)21-12(9-25)16(20)28/h10,12-15,25-26H,3-9H2,1-2H3,(H2,20,28)(H,21,29)(H,22,30)/t10-,12+,13-,14-,15+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016718
PNG
(1-{3-Hydroxy-2-[(pyrrolidine-2-carbonyl)-amino]-pr...)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H]1CCCN1
Show InChI InChI=1S/C16H27N5O6/c17-13(24)10(7-22)19-15(26)12-4-2-6-21(12)16(27)11(8-23)20-14(25)9-3-1-5-18-9/h9-12,18,22-23H,1-8H2,(H2,17,24)(H,19,26)(H,20,25)/t9-,10+,11+,12-/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016715
PNG
(Acetylprolylserylprolylserinamide(AcPSPSNH2) | CHE...)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H29N5O7/c1-10(26)22-6-2-4-13(22)16(28)21-12(9-25)18(30)23-7-3-5-14(23)17(29)20-11(8-24)15(19)27/h11-14,24-25H,2-9H2,1H3,(H2,19,27)(H,20,29)(H,21,28)/t11-,12-,13+,14+/m0/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016713
PNG
(3-Hydroxy-2-[(1-{3-hydroxy-2-[(pyrrolidine-2-carbo...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C17H28N4O7/c1-9(23)13(20-14(24)10-4-2-6-18-10)16(26)21-7-3-5-12(21)15(25)19-11(8-22)17(27)28/h9-13,18,22-23H,2-8H2,1H3,(H,19,25)(H,20,24)(H,27,28)/t9-,10-,11+,12-,13+/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016720
PNG
(3-Hydroxy-2-[(1-{3-hydroxy-2-[(pyrrolidine-2-carbo...)
Show SMILES OC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C16H26N4O7/c21-7-10(18-13(23)9-3-1-5-17-9)15(25)20-6-2-4-12(20)14(24)19-11(8-22)16(26)27/h9-12,17,21-22H,1-8H2,(H,18,23)(H,19,24)(H,26,27)/t9-,10+,11+,12-/m1/s1
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University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367749
PNG
(CHEMBL2369559)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CSSC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(69(111)85-25-9-15-47(85)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)79-61(103)49-17-7-23-83(49)67(109)51-19-11-27-87(51)65(107)43(73-37(3)95)33-113-114-34-44(74-38(4)96)66(108)88-28-12-20-52(88)68(110)84-24-8-18-50(84)62(104)80-54(36(2)94)70(112)86-26-10-16-48(86)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 1.81E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367759
PNG
(CHEMBL2369557)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@H](C)O)C(N)=O)C(N)=O
Show InChI InChI=1S/C72H112N18O24S2/c1-35(93)53(75-39(5)97)69(111)89-29-13-21-51(89)67(109)85-25-9-19-49(85)63(105)81-55(37(3)95)71(113)87-27-11-17-47(87)59(101)77-41(31-91)65(107)83-23-7-15-45(83)61(103)79-43(57(73)99)33-115-116-34-44(58(74)100)80-62(104)46-16-8-24-84(46)66(108)42(32-92)78-60(102)48-18-12-28-88(48)72(114)56(38(4)96)82-64(106)50-20-10-26-86(50)68(110)52-22-14-30-90(52)70(112)54(36(2)94)76-40(6)98/h35-38,41-56,91-96H,7-34H2,1-6H3,(H2,73,99)(H2,74,100)(H,75,97)(H,76,98)(H,77,101)(H,78,102)(H,79,103)(H,80,104)(H,81,105)(H,82,106)/t35-,36-,37+,38+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1
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n/an/a 3.30E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367749
PNG
(CHEMBL2369559)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CSSC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(69(111)85-25-9-15-47(85)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)79-61(103)49-17-7-23-83(49)67(109)51-19-11-27-87(51)65(107)43(73-37(3)95)33-113-114-34-44(74-38(4)96)66(108)88-28-12-20-52(88)68(110)84-24-8-18-50(84)62(104)80-54(36(2)94)70(112)86-26-10-16-48(86)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 3.45E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367752
PNG
(CHEMBL3037869)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C72H112N18O24S2/c1-35(93)53(75-39(5)97)69(111)89-29-13-21-51(89)67(109)85-25-9-19-49(85)63(105)81-55(37(3)95)71(113)87-27-11-17-47(87)61(103)79-43(65(107)83-23-7-15-45(83)59(101)77-41(31-91)57(73)99)33-115-116-34-44(66(108)84-24-8-16-46(84)60(102)78-42(32-92)58(74)100)80-62(104)48-18-12-28-88(48)72(114)56(38(4)96)82-64(106)50-20-10-26-86(50)68(110)52-22-14-30-90(52)70(112)54(36(2)94)76-40(6)98/h35-38,41-56,91-96H,7-34H2,1-6H3,(H2,73,99)(H2,74,100)(H,75,97)(H,76,98)(H,77,101)(H,78,102)(H,79,103)(H,80,104)(H,81,105)(H,82,106)/t35-,36-,37-,38+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1
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n/an/a 5.15E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367748
PNG
(CHEMBL2369568)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C36H57N9O13/c1-18(48)27(38-20(3)50)35(57)45-15-7-11-26(45)34(56)43-13-5-10-25(43)32(54)41-28(19(2)49)36(58)44-14-6-9-24(44)31(53)40-22(17-47)33(55)42-12-4-8-23(42)30(52)39-21(16-46)29(37)51/h18-19,21-28,46-49H,4-17H2,1-3H3,(H2,37,51)(H,38,50)(H,39,52)(H,40,53)(H,41,54)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 6.68E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50367748
PNG
(CHEMBL2369568)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C36H57N9O13/c1-18(48)27(38-20(3)50)35(57)45-15-7-11-26(45)34(56)43-13-5-10-25(43)32(54)41-28(19(2)49)36(58)44-14-6-9-24(44)31(53)40-22(17-47)33(55)42-12-4-8-23(42)30(52)39-21(16-46)29(37)51/h18-19,21-28,46-49H,4-17H2,1-3H3,(H2,37,51)(H,38,50)(H,39,52)(H,40,53)(H,41,54)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1
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n/an/a 9.35E+6n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 31: 1647-51 (1988)

More data for this
Ligand-Target Pair
IgA protease


(Neisseria gonorrhoeae)
BDBM50016731
PNG
(1-(2-{[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H28N4O7/c1-9(23)13(18)16(26)20-6-2-4-11(20)14(24)19-10(8-22)15(25)21-7-3-5-12(21)17(27)28/h9-13,22-23H,2-8,18H2,1H3,(H,19,24)(H,27,28)/t9-,10+,11+,12+,13+/m1/s1
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n/an/a 3.31E+7n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae


J Med Chem 32: 2407-11 (1989)

More data for this
Ligand-Target Pair