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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50522359'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50522359
PNG
(CHEMBL4483558)
Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cccc2Cl
Show InChI InChI=1S/C22H25ClN4O3/c23-15-5-3-7-17-18(15)22(20(30)27(17)12-13-28)8-10-26(11-9-22)21-24-16-6-2-1-4-14(16)19(29)25-21/h3,5,7,28H,1-2,4,6,8-13H2,(H,24,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...


J Med Chem 62: 3407-3427 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01888
BindingDB Entry DOI: 10.7270/Q2S46WC3
More data for this
Ligand-Target Pair