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BDBM370927 US10239843, Example 34

SMILES: Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1

InChI Key: InChIKey=PGXWRSXTTAGNRT-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 370927   
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
poly(ADP-ribose) glycohydrolase (PARG)


(Homo sapiens (Human))
BDBM370927
PNG
(US10239843, Example 34)
Show SMILES Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H27N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 563n/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 (PARG)


(Homo sapiens (Human))
BDBM370927
PNG
(US10239843, Example 34)
Show SMILES Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H27N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 560n/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
poly(ADP-ribose) glycohydrolase (PARG)


(Homo sapiens (Human))
BDBM370927
PNG
(US10239843, Example 34)
Show SMILES Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C20H27N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70E+3n/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