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SMILES: CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1

InChI Key:

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 6 hits for monomerid = 553953   
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 1


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP6


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3


(Homo sapiens (Human))
BDBM553953
PNG
(US11325906, Example 16)
Show SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7.40E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair