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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 = 'BDBM50501354'   
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))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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