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BDBM92929 Immucillins, 13

SMILES: O[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O

InChI Key: InChIKey=HLFZIUSTFPPWRR-YUMQZZPRSA-N

Data: 1 Kd  2 ITC

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 = 92929   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM92929
PNG
(Immucillins, 13)
Show SMILES O[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C11H12N4O3/c16-7-3-15(4-8(7)17)2-6-1-12-10-9(6)13-5-14-11(10)18/h1,5,7-8,16-17H,2-4H2/t7-,8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.156n/an/an/an/an/a



Albert Einstein College of Medicine



Assay Description
Inhibition assay using human PNP.


Biochemistry 48: 5226-38 (2009)


Article DOI: 10.1021/bi9005896
BindingDB Entry DOI: 10.7270/Q2SB44C9
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 92929
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Purine nucleoside phosphorylase

(Homo sapiens (Human))
BDBM92929
JPEG
(Immucillins, 13)
GoogleScholar
PDB
PC cid
PC sid
-13.5n/an/an/a7.4025



Albert Einstein College of Medicine





Biochemistry 48: 5226-38 (2009)

Purine nucleoside phosphorylase

(Homo sapiens (Human))
BDBM92929
JPEG
(Immucillins, 13)
GoogleScholar
PDB
PC cid
PC sid
n/an/a-12.3n/a7.4027



Albert Einstein College of Medicine





Biochemistry 48: 5226-38 (2009)