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BDBM50377941 PETROSAMINE B

SMILES: Cn1ccc2c(c1)c(=[OH+])c1c3c(C(=O)C[N+]1(C)C)c1cc(Br)ccc1nc23

InChI Key: InChIKey=COOQOWCGRODWBP-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50377941   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aspartate-semialdehyde dehydrogenase


(Helicobacter pylori)		BDBM50377941
PNG
(PETROSAMINE B)
Show SMILES Cn1ccc2c(c1)c(=[OH+])c1c3c(C(=O)C[N+]1(C)C)c1cc(Br)ccc1nc23
Show InChI InChI=1S/C21H17BrN3O2/c1-24-7-6-12-14(9-24)21(27)20-18-17(16(26)10-25(20,2)3)13-8-11(22)4-5-15(13)23-19(12)18/h4-9H,10H2,1-3H3/q+1/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.06E+5n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori His-tagged ASD assessed as inhibition of phosphorylation of aspartate semialdehyde

J Nat Prod 68: 804-6 (2005)


Article DOI: 10.1021/np049595s
BindingDB Entry DOI: 10.7270/Q2TB17S3
More data for this
Ligand-Target Pair