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SMILES: Fc1cc(OCC2CCNCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

InChI Key: InChIKey=YYQHGXMWWCGFNC-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 434485   
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
Protein mono-ADP-ribosyltransferase PARP14


(Homo sapiens (Human))
BDBM434485
PNG
(US10562891, Example 399 | US11008308, Example 399)
Show SMILES Fc1cc(OCC2CCNCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12
Show InChI InChI=1S/C20H26FN3O3S/c21-16-9-14(27-11-13-1-5-22-6-2-13)10-17-19(16)20(25)24-18(23-17)12-28-15-3-7-26-8-4-15/h9-10,13,15,22H,1-8,11-12H2,(H,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US11008308 (2021)

More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14 [1611-1801]


(Homo sapiens (Human))
BDBM434485
PNG
(US10562891, Example 399 | US11008308, Example 399)
Show SMILES Fc1cc(OCC2CCNCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12
Show InChI InChI=1S/C20H26FN3O3S/c21-16-9-14(27-11-13-1-5-22-6-2-13)10-17-19(16)20(25)24-18(23-17)12-28-15-3-7-26-8-4-15/h9-10,13,15,22H,1-8,11-12H2,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Ribon Therapeutics Inc.

US Patent


Assay Description
Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modificati...


US Patent US10562891 (2020)


BindingDB Entry DOI: 10.7270/Q290265W
More data for this
Ligand-Target Pair