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BDBM50280298 (1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth-(Z)-ylidene]-cyclopentane-1,2-diol::CHEMBL49204

SMILES: Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O

InChI Key: InChIKey=KOUXHHRRBXETSM-XNWSGGPBSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50280298   
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
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280298
PNG
((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2-/t6-,8-,9+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)


Article DOI: 10.1016/S0960-894X(00)80467-9
BindingDB Entry DOI: 10.7270/Q21Z44B7
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280298
PNG
((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2-/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity of compound against S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem Lett 3: 165-168 (1993)


Article DOI: 10.1016/S0960-894X(01)80869-6
BindingDB Entry DOI: 10.7270/Q2DR2VDD
More data for this
Ligand-Target Pair