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SMILES: O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cccnc3c2=O)CC1

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 2 hits for monomerid = 50557890   
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-2


(Homo sapiens (Human))
BDBM50557890
PNG
(CHEMBL4761317)
Show SMILES O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cccnc3c2=O)CC1 |r,wU:9.9,wD:12.13,(14.67,-7.68,;14.67,-6.14,;16,-5.37,;17.33,-6.14,;17.33,-7.68,;18.66,-8.45,;20,-7.68,;19.99,-6.13,;18.66,-5.37,;13.33,-5.37,;12,-6.13,;10.67,-5.37,;10.68,-3.82,;9.34,-3.06,;8.01,-3.83,;8.01,-5.39,;9.35,-6.16,;6.67,-6.17,;6.67,-7.71,;5.34,-8.48,;4.01,-7.71,;2.68,-8.48,;2.68,-10.02,;4.03,-10.79,;5.35,-10.01,;6.7,-10.77,;8.04,-11.54,;5.33,-5.4,;3.99,-6.16,;2.66,-5.39,;2.66,-3.85,;3.99,-3.08,;5.32,-3.84,;6.66,-3.06,;6.65,-1.51,;12,-3.05,;13.33,-3.82,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TNKS2 incubated for 1 to 2 hrs by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00160
BindingDB Entry DOI: 10.7270/Q2W099KF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50557890
PNG
(CHEMBL4761317)
Show SMILES O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cccnc3c2=O)CC1 |r,wU:9.9,wD:12.13,(14.67,-7.68,;14.67,-6.14,;16,-5.37,;17.33,-6.14,;17.33,-7.68,;18.66,-8.45,;20,-7.68,;19.99,-6.13,;18.66,-5.37,;13.33,-5.37,;12,-6.13,;10.67,-5.37,;10.68,-3.82,;9.34,-3.06,;8.01,-3.83,;8.01,-5.39,;9.35,-6.16,;6.67,-6.17,;6.67,-7.71,;5.34,-8.48,;4.01,-7.71,;2.68,-8.48,;2.68,-10.02,;4.03,-10.79,;5.35,-10.01,;6.7,-10.77,;8.04,-11.54,;5.33,-5.4,;3.99,-6.16,;2.66,-5.39,;2.66,-3.85,;3.99,-3.08,;5.32,-3.84,;6.66,-3.06,;6.65,-1.51,;12,-3.05,;13.33,-3.82,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00160
BindingDB Entry DOI: 10.7270/Q2W099KF
More data for this
Ligand-Target Pair