Found 2 hits Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50367749' 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) | 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 | |
Search and Browse
