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SMILES: Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(C)c2=O)S(=O)(=O)NC2(C)CC2)s1

InChI Key: InChIKey=NMGNSNUSOVFCDS-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 371026   
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


(Homo sapiens (Human))
BDBM371026
PNG
(US10239843, Example 133)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(C)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 184n/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))
BDBM371026
PNG
(US10239843, Example 133)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(C)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 180n/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] polymerase 1


(Homo sapiens (Human))
BDBM371026
PNG
(US10239843, Example 133)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(C)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



Istituto Superiore di Sanita



Assay Description
PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...


J Med Chem 51: 1058-62 (2008)


BindingDB Entry DOI: 10.7270/Q21R6SSM
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM371026
PNG
(US10239843, Example 133)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(C)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto Superiore di Sanita



Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


J Med Chem 51: 1058-62 (2008)


BindingDB Entry DOI: 10.7270/Q21R6SSM
More data for this
Ligand-Target Pair