BindingDB logo
myBDB logout

BDBM248061 SMY-471

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COCc1cccc(n1)-c1ccccn1

InChI Key: InChIKey=YAHKEYSOXIOPGY-QOFCPZNDSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248061   
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
Sphingomyelinase (SMase)


(Bacillus cereus)		BDBM248061
PNG
(SMY-471)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COCc1cccc(n1)-c1ccccn1 |r|
Show InChI InChI=1S/C29H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-29(33)26(30)24-34-23-25-18-17-20-28(32-25)27-19-15-16-22-31-27/h14-22,26,29,33H,2-13,23-24,30H2,1H3/b21-14+/t26-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.80E+3 -7.87 900n/an/an/an/a7.537



Tokushima Bunri University



Assay Description
Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...

J Enzyme Inhib Med Chem 29: 303-10 (2014)


Article DOI: 10.3109/14756366.2013.777717
BindingDB Entry DOI: 10.7270/Q2NV9H50
More data for this
Ligand-Target Pair