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SMILES: CC(C)OC[N]1=CN(Cc2cnn(C)c2)C(=O)c2cc(ccc12)S(=O)(=O)NC1(C)CC1

InChI Key: InChIKey=CEJCRJXUINANRP-UHFFFAOYSA-N

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 3 hits for monomerid = 371186   
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))
BDBM371186
PNG
(US10239843, Example 293)
Show SMILES CC(C)OC[N]1=CN(Cc2cnn(C)c2)C(=O)c2cc(ccc12)S(=O)(=O)NC1(C)CC1 |t:5|
Show InChI InChI=1S/C21H28N5O4S/c1-15(2)30-14-26-13-25(12-16-10-22-24(4)11-16)20(27)18-9-17(5-6-19(18)26)31(28,29)23-21(3)7-8-21/h5-6,9-11,13,15,23H,7-8,12,14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 237n/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] polymerase 1


(Homo sapiens (Human))
BDBM371186
PNG
(US10239843, Example 293)
Show SMILES CC(C)OC[N]1=CN(Cc2cnn(C)c2)C(=O)c2cc(ccc12)S(=O)(=O)NC1(C)CC1 |t:5|
Show InChI InChI=1S/C21H28N5O4S/c1-15(2)30-14-26-13-25(12-16-10-22-24(4)11-16)20(27)18-9-17(5-6-19(18)26)31(28,29)23-21(3)7-8-21/h5-6,9-11,13,15,23H,7-8,12,14H2,1-4H3
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))
BDBM371186
PNG
(US10239843, Example 293)
Show SMILES CC(C)OC[N]1=CN(Cc2cnn(C)c2)C(=O)c2cc(ccc12)S(=O)(=O)NC1(C)CC1 |t:5|
Show InChI InChI=1S/C21H28N5O4S/c1-15(2)30-14-26-13-25(12-16-10-22-24(4)11-16)20(27)18-9-17(5-6-19(18)26)31(28,29)23-21(3)7-8-21/h5-6,9-11,13,15,23H,7-8,12,14H2,1-4H3
PDB

UniProtKB/SwissProt

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
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