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7 similar compounds to monomer 50171740

Compile data set for download or QSAR
Wt: 365.5
BDBM50171731
Wt: 366.4
BDBM50171735
Wt: 365.5
BDBM50171736
Wt: 337.4
BDBM50171738
Wt: 379.5
BDBM50171746
Wt: 351.4
BDBM50171747
Wt: 353.4
BDBM50171748

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50171731,50171735,50171736,50171738,50171746,50171747,50171748   
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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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
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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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171736
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCCCCC12
Show InChI InChI=1S/C23H31N3O/c27-23-20-10-5-2-6-11-21(20)24-22(25-23)12-7-15-26-16-13-19(14-17-26)18-8-3-1-4-9-18/h1,3-4,8-9,13,20-21H,2,5-7,10-12,14-17H2,(H,24,25,27)
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n/an/a 495n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171747
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCCCC12
Show InChI InChI=1S/C22H29N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-3,7-8,12,19-20H,4-6,9-11,13-16H2,(H,23,24,26)
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n/an/a 20n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171748
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCOCC12
Show InChI InChI=1S/C21H27N3O2/c25-21-18-15-26-14-10-19(18)22-20(23-21)7-4-11-24-12-8-17(9-13-24)16-5-2-1-3-6-16/h1-3,5-6,8,18-19H,4,7,9-15H2,(H,22,23,25)
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n/an/a 200n/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
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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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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50171738
PNG
(2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCCC12
Show InChI InChI=1S/C21H27N3O/c25-21-18-8-4-9-19(18)22-20(23-21)10-5-13-24-14-11-17(12-15-24)16-6-2-1-3-7-16/h1-3,6-7,11,18-19H,4-5,8-10,12-15H2,(H,22,23,25)
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n/an/a 249n/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