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BDBM136312 US8853224, 29

SMILES: CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO

InChI Key: InChIKey=GMTNOMALWYVUCZ-ZYMOGRSISA-N

Data: 2 Kd

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 2 hits for monomerid = 136312   
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 (PNP)


(Plasmodium falciparum)
BDBM136312
PNG
(US8853224, 29)
Show SMILES CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO
Show InChI InChI=1S/C20H26N4O3S/c1-28-12-16(17(26)11-25)10-24(8-14-5-3-2-4-6-14)9-15-7-21-19-18(15)22-13-23-20(19)27/h2-7,13,16-17,21,25-26H,8-12H2,1H3,(H,22,23,27)/t16?,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.10E+3n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM136312
PNG
(US8853224, 29)
Show SMILES CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO
Show InChI InChI=1S/C20H26N4O3S/c1-28-12-16(17(26)11-25)10-24(8-14-5-3-2-4-6-14)9-15-7-21-19-18(15)22-13-23-20(19)27/h2-7,13,16-17,21,25-26H,8-12H2,1H3,(H,22,23,27)/t16?,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 22n/an/an/an/a25



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair