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BDBM50140074 CHEMBL2059155::US10227373, Compound 3-Bromo-3-deazaneplanocin

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

InChI Key: InChIKey=PDMBCGAGDFHPGP-ONOSFVFSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140074   
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


(Oryctolagus cuniculus (Rabbit))
BDBM50140074
PNG
(CHEMBL2059155 | US10227373, Compound 3-Bromo-3-dea...)
Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
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/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70n/an/an/an/an/an/a



Auburn University

US Patent


Assay Description
As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...


US Patent US10227373 (2019)


BindingDB Entry DOI: 10.7270/Q24Q7X8H
More data for this
Ligand-Target Pair
Adenosylhomocysteinase 2


(Homo sapiens (Human))
BDBM50140074
PNG
(CHEMBL2059155 | US10227373, Compound 3-Bromo-3-dea...)
Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
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/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair