BindingDB logo
myBDB logout

null

SMILES: COc1ccnc(CN2CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)n1

InChI Key: InChIKey=KCPHCJUACXXHDI-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 = 318019   
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] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM318019
PNG
(2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-...)
Show SMILES COc1ccnc(CN2CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)n1
Show InChI InChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM318019
PNG
(2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-...)
Show SMILES COc1ccnc(CN2CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)n1
Show InChI InChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.47E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The Poly ADP-ribose polymerase 1(PARP1) assay is an ELISA which detects poly ADP ribose incorporated into plate-bound histone protein in a 384-well f...


US Patent US9624218 (2017)


BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318019
PNG
(2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-...)
Show SMILES COc1ccnc(CN2CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)n1
Show InChI InChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair