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BDBM50171731 6-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one::CHEMBL198230

SMILES: CC1CCC2NC(CCCN3CCC(=CC3)c3ccccc3)=NC(=O)C2C1

InChI Key: InChIKey=USIJTWGGTVYMGF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171731   
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))
BDBM50171731
PNG
(6-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES CC1CCC2NC(CCCN3CCC(=CC3)c3ccccc3)=NC(=O)C2C1
Show InChI InChI=1S/C23H31N3O/c1-17-9-10-21-20(16-17)23(27)25-22(24-21)8-5-13-26-14-11-19(12-15-26)18-6-3-2-4-7-18/h2-4,6-7,11,17,20-21H,5,8-10,12-16H2,1H3,(H,24,25,27)
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MMDB

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Similars

Article
PubMed
n/an/a 274n/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