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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly(ADP-ribose) glycohydrolase' and Ligand = 'BDBM421430'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421430
PNG
(N-(1-Methylcyclopropyl)-1-[2-(2-oxoimidazolidin-1-...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2CCN(C(=O)CN3CCNC3=O)c2c1
Show InChI InChI=1S/C17H22N4O4S/c1-17(5-6-17)19-26(24,25)13-3-2-12-4-8-21(14(12)10-13)15(22)11-20-9-7-18-16(20)23/h2-3,10,19H,4-9,11H2,1H3,(H,18,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.23E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421430
PNG
(N-(1-Methylcyclopropyl)-1-[2-(2-oxoimidazolidin-1-...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2CCN(C(=O)CN3CCNC3=O)c2c1
Show InChI InChI=1S/C17H22N4O4S/c1-17(5-6-17)19-26(24,25)13-3-2-12-4-8-21(14(12)10-13)15(22)11-20-9-7-18-16(20)23/h2-3,10,19H,4-9,11H2,1H3,(H,18,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.23E+3n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair