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BDBM50171740 2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-4a,5,6,7,8,8a-hexahydro-3H-pyrido[4,3-d]pyrimidin-4-one::CHEMBL370171

SMILES: O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCNCC12

InChI Key: InChIKey=YUXOQHWVQKFINS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171740   
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))
BDBM50171740
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCNCC12
Show InChI InChI=1S/C21H28N4O/c26-21-18-15-22-11-8-19(18)23-20(24-21)7-4-12-25-13-9-17(10-14-25)16-5-2-1-3-6-16/h1-3,5-6,9,18-19,22H,4,7-8,10-15H2,(H,23,24,26)
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Similars

Article
PubMed
n/an/a 8.60E+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