BindingDB logo
myBDB logout

null

SMILES: Nc1ncc(Br)c2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=XGHPFIDDLHHTKE-ORCOQGSOSA-N

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 = 50140077   
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
S-adenosylhomocysteine hydrolase-like protein 1


(Homo sapiens (Human))		BDBM50140077
PNG
(CHEMBL3753746)
Show SMILES Nc1ncc(Br)c2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4-5,10-11,18-20H,3H2,(H2,14,15)/t5-,10-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 13n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)

Bioorg Med Chem Lett 26: 928-30 (2016)


BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair