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BDBM50171746 6,6-Dimethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one::CHEMBL194404

SMILES: CC1(C)CCC2NC(CCCN3CCC(=CC3)c3ccccc3)=NC(=O)C2C1

InChI Key: InChIKey=IIAWNEDZKNPAQI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171746
PNG
(6,6-Dimethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin...)
Show SMILES CC1(C)CCC2NC(CCCN3CCC(=CC3)c3ccccc3)=NC(=O)C2C1
Show InChI InChI=1S/C24H33N3O/c1-24(2)13-10-21-20(17-24)23(28)26-22(25-21)9-6-14-27-15-11-19(12-16-27)18-7-4-3-5-8-18/h3-5,7-8,11,20-21H,6,9-10,12-17H2,1-2H3,(H,25,26,28)
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Similars

Article
PubMed
n/an/a>1.00E+4n/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