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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50089866'   
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))
BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...


J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50089866
PNG
(CHEMBL3577625)
Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O
Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 331n/an/an/an/an/an/a



£Philochem AG

Curated by ChEMBL


Assay Description
Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...


J Med Chem 58: 5143-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00432
BindingDB Entry DOI: 10.7270/Q2R2134J
More data for this
Ligand-Target Pair