Found 21 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367755
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase assayed in 40% TFE |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367751
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367751
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367755
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367754
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367754
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367756
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367756
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367758
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367753
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367753
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367750
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.03E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367750
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.03E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367757
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.57E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367757
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.57E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367749
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.81E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367749
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.81E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367759
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367752
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.15E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367748
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.35E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
IgA-specific serine endopeptidase autotransporter
(Neisseria gonorrhoeae) | BDBM50367748
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.35E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against IgA1 proteinase |
J Med Chem 31: 1647-51 (1988)
BindingDB Entry DOI: 10.7270/Q2S46SKJ |
More data for this
Ligand-Target Pair | |
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