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BDBM50037903 6-Amino-9-hydroxy-9-[(R)-1-((S)-1-hydroxy-ethyl)-heptyl]-9H-purin-9-ium::CHEMBL127469

SMILES: CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c1ncnc2N

InChI Key: InChIKey=IWVUOUJJDOENEH-CJGXVHQKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037903   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50037903
PNG
(6-Amino-9-hydroxy-9-[(R)-1-((S)-1-hydroxy-ethyl)-h...)
Show SMILES CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c1ncnc2N
Show InChI InChI=1S/C14H23N5O2/c1-3-4-5-6-7-11(10(2)20)19(21)9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+,19?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)


J Med Chem 37: 3844-9 (1994)


Article DOI: 10.1021/jm00048a020
BindingDB Entry DOI: 10.7270/Q2FT8K2W
More data for this
Ligand-Target Pair