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SMILES: Cc1cccc2n(Cc3cccc(Cl)c3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50557896   
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))
BDBM50557896
PNG
(CHEMBL4786379)
Show SMILES Cc1cccc2n(Cc3cccc(Cl)c3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:24.28,wD:21.21,(2.22,-29.02,;2.22,-30.56,;.89,-31.33,;.89,-32.87,;2.22,-33.64,;3.56,-32.88,;4.9,-33.64,;4.91,-35.18,;3.58,-35.96,;2.24,-35.19,;.91,-35.96,;.92,-37.5,;2.26,-38.27,;2.27,-39.81,;3.59,-37.49,;4.93,-38.25,;6.27,-39.01,;6.25,-32.87,;7.58,-33.63,;6.24,-31.31,;7.57,-30.54,;8.91,-31.3,;8.91,-32.85,;10.23,-33.61,;11.57,-32.84,;11.57,-31.3,;10.23,-30.53,;12.9,-33.62,;12.9,-35.16,;14.24,-32.85,;15.57,-33.62,;15.56,-35.16,;16.9,-35.93,;18.23,-35.16,;18.23,-33.61,;16.9,-32.85,;4.89,-30.53,;4.89,-28.99,;3.56,-31.32,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 20n/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))
BDBM50557896
PNG
(CHEMBL4786379)
Show SMILES Cc1cccc2n(Cc3cccc(Cl)c3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:24.28,wD:21.21,(2.22,-29.02,;2.22,-30.56,;.89,-31.33,;.89,-32.87,;2.22,-33.64,;3.56,-32.88,;4.9,-33.64,;4.91,-35.18,;3.58,-35.96,;2.24,-35.19,;.91,-35.96,;.92,-37.5,;2.26,-38.27,;2.27,-39.81,;3.59,-37.49,;4.93,-38.25,;6.27,-39.01,;6.25,-32.87,;7.58,-33.63,;6.24,-31.31,;7.57,-30.54,;8.91,-31.3,;8.91,-32.85,;10.23,-33.61,;11.57,-32.84,;11.57,-31.3,;10.23,-30.53,;12.9,-33.62,;12.9,-35.16,;14.24,-32.85,;15.57,-33.62,;15.56,-35.16,;16.9,-35.93,;18.23,-35.16,;18.23,-33.61,;16.9,-32.85,;4.89,-30.53,;4.89,-28.99,;3.56,-31.32,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair