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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Signal peptidase I' and Ligand = 'BDBM50469154'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Signal peptidase I


(Escherichia coli (strain K12))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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