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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50171735'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171735
PNG
(6-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES CN1CCC2NC(CCCN3CCC(=CC3)c3ccccc3)=NC(=O)C2C1
Show InChI InChI=1S/C22H30N4O/c1-25-13-11-20-19(16-25)22(27)24-21(23-20)8-5-12-26-14-9-18(10-15-26)17-6-3-2-4-7-17/h2-4,6-7,9,19-20H,5,8,10-16H2,1H3,(H,23,24,27)
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Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1


Bioorg Med Chem Lett 15: 4221-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.094
BindingDB Entry DOI: 10.7270/Q2VH5NDP
More data for this
Ligand-Target Pair