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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly(ADP-ribose) glycohydrolase' and Ligand = 'BDBM371090'   
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))
BDBM371090
PNG
(US10239843, Example 197)
Show SMILES Cc1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C21H24N4O5S/c1-13-9-15(30-22-13)12-25-19(26)17-10-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Istituto Superiore di Sanita



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 ...


J Med Chem 51: 1058-62 (2008)


BindingDB Entry DOI: 10.7270/Q21R6SSM
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM371090
PNG
(US10239843, Example 197)
Show SMILES Cc1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C21H24N4O5S/c1-13-9-15(30-22-13)12-25-19(26)17-10-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 49n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...


J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM371090
PNG
(US10239843, Example 197)
Show SMILES Cc1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
Show InChI InChI=1S/C21H24N4O5S/c1-13-9-15(30-22-13)12-25-19(26)17-10-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 55n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay


J Med Chem 61: 10767-10792 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01407
BindingDB Entry DOI: 10.7270/Q2TM7DTN
More data for this
Ligand-Target Pair